2026-05-04T19:39:18,904 Created temporary directory: /tmp/pip-ephem-wheel-cache-y80fgw_t 2026-05-04T19:39:18,906 Created temporary directory: /tmp/pip-build-tracker-yi37gfht 2026-05-04T19:39:18,907 Initialized build tracking at /tmp/pip-build-tracker-yi37gfht 2026-05-04T19:39:18,907 Created build tracker: /tmp/pip-build-tracker-yi37gfht 2026-05-04T19:39:18,908 Entered build tracker: /tmp/pip-build-tracker-yi37gfht 2026-05-04T19:39:18,909 Created temporary directory: /tmp/pip-wheel-ozkxbqo_ 2026-05-04T19:39:18,911 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-05-04T19:39:18,914 Created temporary directory: /tmp/pip-ephem-wheel-cache-4_awmz1_ 2026-05-04T19:39:18,935 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-05-04T19:39:18,939 2 location(s) to search for versions of acellera-htmd: 2026-05-04T19:39:18,939 * https://pypi.org/simple/acellera-htmd/ 2026-05-04T19:39:18,939 * https://www.piwheels.org/simple/acellera-htmd/ 2026-05-04T19:39:18,939 Fetching project page and analyzing links: https://pypi.org/simple/acellera-htmd/ 2026-05-04T19:39:18,940 Getting page https://pypi.org/simple/acellera-htmd/ 2026-05-04T19:39:18,942 Found index url https://pypi.org/simple 2026-05-04T19:39:19,096 Fetched page https://pypi.org/simple/acellera-htmd/ as application/vnd.pypi.simple.v1+json 2026-05-04T19:39:19,100 Found link https://files.pythonhosted.org/packages/7b/b5/296a5fe7573797fca6eb9e1820feaceb3e078cbd4905156960e9ba779fac/acellera-htmd-1.23.2.tar.gz (from https://pypi.org/simple/acellera-htmd/), version: 1.23.2 2026-05-04T19:39:19,100 Found link https://files.pythonhosted.org/packages/63/8e/389b32ca6a0789b30ad1483dbfeeb46916450ba1a1f6c953966e9903bbbb/acellera-htmd-1.23.4.tar.gz (from https://pypi.org/simple/acellera-htmd/), version: 1.23.4 2026-05-04T19:39:19,101 Found link https://files.pythonhosted.org/packages/5d/56/5d7e8d3d4f979cd97a540bedf4c4edc7268388c9eb450bc4af0ce0084f1f/acellera-htmd-1.23.5.tar.gz (from https://pypi.org/simple/acellera-htmd/), version: 1.23.5 2026-05-04T19:39:19,102 Found link https://files.pythonhosted.org/packages/f2/ef/f3b5c44015b5e51757d54f7d27c4208a618f609036e8517b083034dc1ada/acellera-htmd-1.23.6.tar.gz (from https://pypi.org/simple/acellera-htmd/), version: 1.23.6 2026-05-04T19:39:19,103 Found link https://files.pythonhosted.org/packages/46/22/b042ef04a3ddbe7e160d6923657f24d261aa175be0f93243e0259c287a57/acellera_htmd-2.5.8.tar.gz (from https://pypi.org/simple/acellera-htmd/) (requires-python:>=3.10), version: 2.5.8 2026-05-04T19:39:19,104 Found link https://files.pythonhosted.org/packages/f2/d7/997750fb042860ca38439ccb15237092722f451e4db538d3ccd421c6ff56/acellera_htmd-2.5.9.tar.gz (from https://pypi.org/simple/acellera-htmd/) (requires-python:>=3.10), version: 2.5.9 2026-05-04T19:39:19,105 Found link https://files.pythonhosted.org/packages/53/f3/0909deceb5515bce2a09c1bd405aa154ce25c2a9c9ee0955ef8b684b1b4e/acellera_htmd-2.6.0.tar.gz (from https://pypi.org/simple/acellera-htmd/) (requires-python:>=3.10), version: 2.6.0 2026-05-04T19:39:19,106 Found link https://files.pythonhosted.org/packages/c3/49/1143b30c950f6e2e2af252e852d5ebdb7e85bed42e351f8250032daed81f/acellera_htmd-2.6.1.tar.gz (from https://pypi.org/simple/acellera-htmd/) (requires-python:>=3.10), version: 2.6.1 2026-05-04T19:39:19,107 Found link https://files.pythonhosted.org/packages/c1/a1/f5fbc5f195c51b6270957d68aafa8f53e8001e3e0a19ebccd301e9312de7/acellera_htmd-2.6.2.tar.gz (from https://pypi.org/simple/acellera-htmd/) (requires-python:>=3.10), version: 2.6.2 2026-05-04T19:39:19,108 Found link https://files.pythonhosted.org/packages/68/1c/5d0cce9b91721e2a2d6a24740ec88a1654d33e348448877bddc152983d50/acellera_htmd-2.6.3.tar.gz (from https://pypi.org/simple/acellera-htmd/) (requires-python:>=3.10), version: 2.6.3 2026-05-04T19:39:19,109 Found link https://files.pythonhosted.org/packages/32/97/a890bdbce9fa31db1062c47e282ef4fefd6b03359e758f898102e34e2b84/acellera_htmd-2.6.4.tar.gz (from https://pypi.org/simple/acellera-htmd/) (requires-python:>=3.10), version: 2.6.4 2026-05-04T19:39:19,110 Found link https://files.pythonhosted.org/packages/0f/6b/33aaeb43df7e5b74f5070ddd7ebdd18076821ccdadc3f529c50436d9d008/acellera_htmd-2.6.5.tar.gz (from https://pypi.org/simple/acellera-htmd/) (requires-python:>=3.10), version: 2.6.5 2026-05-04T19:39:19,111 Found link https://files.pythonhosted.org/packages/b3/a6/c2e5b33d5c296f1277038a88421d1a5f265aa0bc614fb5dcd7c041936ec2/acellera_htmd-2.7.0.tar.gz (from https://pypi.org/simple/acellera-htmd/) (requires-python:>=3.10), version: 2.7.0 2026-05-04T19:39:19,112 Fetching project page and analyzing links: https://www.piwheels.org/simple/acellera-htmd/ 2026-05-04T19:39:19,112 Getting page https://www.piwheels.org/simple/acellera-htmd/ 2026-05-04T19:39:19,113 Found index url https://www.piwheels.org/simple 2026-05-04T19:39:19,288 Fetched page https://www.piwheels.org/simple/acellera-htmd/ as text/html 2026-05-04T19:39:19,292 Skipping link: No binaries permitted for acellera-htmd: https://www.piwheels.org/simple/acellera-htmd/acellera_htmd-2.6.5-py3-none-any.whl#sha256=6a4478ef428c11d897f8bed0691db4c073ee7b0cc080975f0ce3794bb17152be (from https://www.piwheels.org/simple/acellera-htmd/) (requires-python:>=3.10) 2026-05-04T19:39:19,293 Skipping link: No binaries permitted for acellera-htmd: https://www.piwheels.org/simple/acellera-htmd/acellera_htmd-2.6.4-py3-none-any.whl#sha256=66c7d8d0f505d9c4515b9d989a0710120d27ef39bb24537b9729224bf711dcb6 (from https://www.piwheels.org/simple/acellera-htmd/) (requires-python:>=3.10) 2026-05-04T19:39:19,293 Skipping link: No binaries permitted for acellera-htmd: https://www.piwheels.org/simple/acellera-htmd/acellera_htmd-2.6.3-py3-none-any.whl#sha256=32d22acbcd9e7adb5730ba97d1fe4de785a0814f14fd802980d53208fc6e291b (from https://www.piwheels.org/simple/acellera-htmd/) (requires-python:>=3.10) 2026-05-04T19:39:19,294 Skipping link: No binaries permitted for acellera-htmd: https://www.piwheels.org/simple/acellera-htmd/acellera_htmd-2.6.2-py3-none-any.whl#sha256=eb4bab0a119829d1bc40fbb9918fd5ca3ed48922a4ebe7228717cf8de4aa1427 (from https://www.piwheels.org/simple/acellera-htmd/) (requires-python:>=3.10) 2026-05-04T19:39:19,295 Skipping link: No binaries permitted for acellera-htmd: https://www.piwheels.org/simple/acellera-htmd/acellera_htmd-2.6.1-py3-none-any.whl#sha256=276acfba7f712b652f35f6ce7279fe2885edf66bce30142e45deb90188a58cfb (from https://www.piwheels.org/simple/acellera-htmd/) (requires-python:>=3.10) 2026-05-04T19:39:19,295 Skipping link: No binaries permitted for acellera-htmd: https://archive1.piwheels.org/simple/acellera-htmd/acellera_htmd-2.6.0-py3-none-any.whl#sha256=3490bfd57e9749c4dec60d86755e1ddbe9b92c9d7ae74c7aafaf9de45462c2e2 (from https://www.piwheels.org/simple/acellera-htmd/) (requires-python:>=3.10) 2026-05-04T19:39:19,296 Skipping link: No binaries permitted for acellera-htmd: https://archive1.piwheels.org/simple/acellera-htmd/acellera_htmd-2.5.9-py3-none-any.whl#sha256=c1a9ab1a067690bc9279663b8f510ad8644a8116f8bb2346393452050018b898 (from https://www.piwheels.org/simple/acellera-htmd/) (requires-python:>=3.10) 2026-05-04T19:39:19,296 Skipping link: No binaries permitted for acellera-htmd: https://archive1.piwheels.org/simple/acellera-htmd/acellera_htmd-2.5.8-py3-none-any.whl#sha256=f35d7d637d96979c3193449d0fa62cc53af299b6150e0febb9508b1a4e37072b (from https://www.piwheels.org/simple/acellera-htmd/) (requires-python:>=3.10) 2026-05-04T19:39:19,297 Skipping link: No binaries permitted for acellera-htmd: https://archive1.piwheels.org/simple/acellera-htmd/acellera_htmd-0-py3-none-any.whl#sha256=5faae28b3355ac3a599fda507325bf63fef2e93ca3508ac1e166e52d000aa905 (from https://www.piwheels.org/simple/acellera-htmd/) 2026-05-04T19:39:19,297 Skipping link: not a file: https://www.piwheels.org/simple/acellera-htmd/ 2026-05-04T19:39:19,298 Skipping link: not a file: https://pypi.org/simple/acellera-htmd/ 2026-05-04T19:39:19,319 Given no hashes to check 1 links for project 'acellera-htmd': discarding no candidates 2026-05-04T19:39:19,337 Collecting acellera-htmd==2.7.0 2026-05-04T19:39:19,339 Created temporary directory: /tmp/pip-unpack-9evas9wo 2026-05-04T19:39:19,607 Downloading acellera_htmd-2.7.0.tar.gz (4.0 MB) 2026-05-04T19:39:21,664 Added acellera-htmd==2.7.0 from https://files.pythonhosted.org/packages/b3/a6/c2e5b33d5c296f1277038a88421d1a5f265aa0bc614fb5dcd7c041936ec2/acellera_htmd-2.7.0.tar.gz to build tracker '/tmp/pip-build-tracker-yi37gfht' 2026-05-04T19:39:21,670 Created temporary directory: /tmp/pip-build-env-d_o9itub 2026-05-04T19:39:21,674 Installing build dependencies: started 2026-05-04T19:39:21,675 Running command pip subprocess to install build dependencies 2026-05-04T19:39:22,806 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-05-04T19:39:23,243 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-05-04T19:39:23,267 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-05-04T19:39:25,028 Collecting setuptools 2026-05-04T19:39:25,122 Using cached https://www.piwheels.org/simple/setuptools/setuptools-82.0.1-py3-none-any.whl (1.0 MB) 2026-05-04T19:39:25,506 Collecting setuptools-scm>=8 2026-05-04T19:39:25,522 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.0.5-py3-none-any.whl (21 kB) 2026-05-04T19:39:25,605 Collecting vcs-versioning>=1.0.0.dev0 2026-05-04T19:39:25,622 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-1.1.1-py3-none-any.whl (79 kB) 2026-05-04T19:39:25,824 Collecting packaging>=20 2026-05-04T19:39:25,842 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl (100 kB) 2026-05-04T19:39:28,782 Installing collected packages: setuptools, packaging, vcs-versioning, setuptools-scm 2026-05-04T19:39:32,451 Creating /tmp/pip-build-env-d_o9itub/overlay/local/bin 2026-05-04T19:39:32,453 changing mode of /tmp/pip-build-env-d_o9itub/overlay/local/bin/vcs-versioning to 755 2026-05-04T19:39:32,559 changing mode of /tmp/pip-build-env-d_o9itub/overlay/local/bin/setuptools-scm to 755 2026-05-04T19:39:32,587 Successfully installed packaging-26.2 setuptools-82.0.1 setuptools-scm-10.0.5 vcs-versioning-1.1.1 2026-05-04T19:39:32,876 Installing build dependencies: finished with status 'done' 2026-05-04T19:39:32,882 Getting requirements to build wheel: started 2026-05-04T19:39:32,884 Running command Getting requirements to build wheel 2026-05-04T19:39:33,681 running egg_info 2026-05-04T19:39:33,689 writing acellera_htmd.egg-info/PKG-INFO 2026-05-04T19:39:33,694 writing dependency_links to acellera_htmd.egg-info/dependency_links.txt 2026-05-04T19:39:33,696 writing entry points to acellera_htmd.egg-info/entry_points.txt 2026-05-04T19:39:33,699 writing requirements to acellera_htmd.egg-info/requires.txt 2026-05-04T19:39:33,701 writing top-level names to acellera_htmd.egg-info/top_level.txt 2026-05-04T19:39:33,784 /tmp/pip-build-env-d_o9itub/overlay/local/lib/python3.11/dist-packages/vcs_versioning/overrides.py:609: UserWarning: No GlobalOverrides context is active. Auto-creating one with SETUPTOOLS_SCM prefix for backwards compatibility. Consider using 'with GlobalOverrides.from_env("YOUR_TOOL"):' explicitly. 2026-05-04T19:39:33,784 return get_active_overrides().subprocess_timeout 2026-05-04T19:39:33,792 listing git files failed - pretending there aren't any 2026-05-04T19:39:33,796 reading manifest file 'acellera_htmd.egg-info/SOURCES.txt' 2026-05-04T19:39:33,817 reading manifest template 'MANIFEST.in' 2026-05-04T19:39:33,835 no previously-included directories found matching 'htmd/data' 2026-05-04T19:39:33,836 no previously-included directories found matching '.github' 2026-05-04T19:39:33,837 no previously-included directories found matching 'doc' 2026-05-04T19:39:33,839 no previously-included directories found matching 'package' 2026-05-04T19:39:33,840 no previously-included directories found matching 'tests' 2026-05-04T19:39:33,841 no previously-included directories found matching 'tutorials' 2026-05-04T19:39:33,842 warning: no previously-included files found matching 'Makefile' 2026-05-04T19:39:33,843 adding license file 'LICENSE' 2026-05-04T19:39:33,865 writing manifest file 'acellera_htmd.egg-info/SOURCES.txt' 2026-05-04T19:39:33,973 Getting requirements to build wheel: finished with status 'done' 2026-05-04T19:39:33,976 Created temporary directory: /tmp/pip-modern-metadata-kbsocihd 2026-05-04T19:39:33,978 Preparing metadata (pyproject.toml): started 2026-05-04T19:39:33,979 Running command Preparing metadata (pyproject.toml) 2026-05-04T19:39:34,728 running dist_info 2026-05-04T19:39:34,742 creating /tmp/pip-modern-metadata-kbsocihd/acellera_htmd.egg-info 2026-05-04T19:39:34,743 writing /tmp/pip-modern-metadata-kbsocihd/acellera_htmd.egg-info/PKG-INFO 2026-05-04T19:39:34,748 writing dependency_links to /tmp/pip-modern-metadata-kbsocihd/acellera_htmd.egg-info/dependency_links.txt 2026-05-04T19:39:34,750 writing entry points to /tmp/pip-modern-metadata-kbsocihd/acellera_htmd.egg-info/entry_points.txt 2026-05-04T19:39:34,754 writing requirements to /tmp/pip-modern-metadata-kbsocihd/acellera_htmd.egg-info/requires.txt 2026-05-04T19:39:34,755 writing top-level names to /tmp/pip-modern-metadata-kbsocihd/acellera_htmd.egg-info/top_level.txt 2026-05-04T19:39:34,756 writing manifest file '/tmp/pip-modern-metadata-kbsocihd/acellera_htmd.egg-info/SOURCES.txt' 2026-05-04T19:39:34,829 /tmp/pip-build-env-d_o9itub/overlay/local/lib/python3.11/dist-packages/vcs_versioning/overrides.py:609: UserWarning: No GlobalOverrides context is active. Auto-creating one with SETUPTOOLS_SCM prefix for backwards compatibility. Consider using 'with GlobalOverrides.from_env("YOUR_TOOL"):' explicitly. 2026-05-04T19:39:34,830 return get_active_overrides().subprocess_timeout 2026-05-04T19:39:34,836 listing git files failed - pretending there aren't any 2026-05-04T19:39:34,841 reading manifest file '/tmp/pip-modern-metadata-kbsocihd/acellera_htmd.egg-info/SOURCES.txt' 2026-05-04T19:39:34,843 reading manifest template 'MANIFEST.in' 2026-05-04T19:39:34,860 no previously-included directories found matching 'htmd/data' 2026-05-04T19:39:34,862 no previously-included directories found matching '.github' 2026-05-04T19:39:34,863 no previously-included directories found matching 'doc' 2026-05-04T19:39:34,864 no previously-included directories found matching 'package' 2026-05-04T19:39:34,865 no previously-included directories found matching 'tests' 2026-05-04T19:39:34,866 no previously-included directories found matching 'tutorials' 2026-05-04T19:39:34,867 warning: no previously-included files found matching 'Makefile' 2026-05-04T19:39:34,867 adding license file 'LICENSE' 2026-05-04T19:39:34,884 writing manifest file '/tmp/pip-modern-metadata-kbsocihd/acellera_htmd.egg-info/SOURCES.txt' 2026-05-04T19:39:34,886 creating '/tmp/pip-modern-metadata-kbsocihd/acellera_htmd-2.7.0.dist-info' 2026-05-04T19:39:35,022 Preparing metadata (pyproject.toml): finished with status 'done' 2026-05-04T19:39:35,027 Source in /tmp/pip-wheel-ozkxbqo_/acellera-htmd_1728fe08aced4bb5b3b220a47c0ed65c has version 2.7.0, which satisfies requirement acellera-htmd==2.7.0 from https://files.pythonhosted.org/packages/b3/a6/c2e5b33d5c296f1277038a88421d1a5f265aa0bc614fb5dcd7c041936ec2/acellera_htmd-2.7.0.tar.gz 2026-05-04T19:39:35,028 Removed acellera-htmd==2.7.0 from https://files.pythonhosted.org/packages/b3/a6/c2e5b33d5c296f1277038a88421d1a5f265aa0bc614fb5dcd7c041936ec2/acellera_htmd-2.7.0.tar.gz from build tracker '/tmp/pip-build-tracker-yi37gfht' 2026-05-04T19:39:35,034 Created temporary directory: /tmp/pip-unpack-sbwr0rs8 2026-05-04T19:39:35,034 Building wheels for collected packages: acellera-htmd 2026-05-04T19:39:35,039 Created temporary directory: /tmp/pip-wheel-87pd_z5_ 2026-05-04T19:39:35,039 Destination directory: /tmp/pip-wheel-87pd_z5_ 2026-05-04T19:39:35,041 Building wheel for acellera-htmd (pyproject.toml): started 2026-05-04T19:39:35,042 Running command Building wheel for acellera-htmd (pyproject.toml) 2026-05-04T19:39:35,763 running bdist_wheel 2026-05-04T19:39:35,788 running build 2026-05-04T19:39:35,788 running build_py 2026-05-04T19:39:35,790 creating build/lib/htmd 2026-05-04T19:39:35,793 copying htmd/units.py -> build/lib/htmd 2026-05-04T19:39:35,794 copying htmd/util.py -> build/lib/htmd 2026-05-04T19:39:35,797 copying htmd/ui.py -> build/lib/htmd 2026-05-04T19:39:35,799 copying htmd/pathplanning.py -> build/lib/htmd 2026-05-04T19:39:35,801 copying htmd/model.py -> build/lib/htmd 2026-05-04T19:39:35,805 copying htmd/metricdata.py -> build/lib/htmd 2026-05-04T19:39:35,809 copying htmd/dock.py -> build/lib/htmd 2026-05-04T19:39:35,811 copying htmd/session.py -> build/lib/htmd 2026-05-04T19:39:35,813 copying htmd/parallelprogress.py -> build/lib/htmd 2026-05-04T19:39:35,815 copying htmd/simlist.py -> build/lib/htmd 2026-05-04T19:39:35,818 copying htmd/latest.py -> build/lib/htmd 2026-05-04T19:39:35,819 copying htmd/license.py -> build/lib/htmd 2026-05-04T19:39:35,822 copying htmd/mutualinformation.py -> build/lib/htmd 2026-05-04T19:39:35,824 copying htmd/decorators.py -> build/lib/htmd 2026-05-04T19:39:35,826 copying htmd/metricdatagenerator.py -> build/lib/htmd 2026-05-04T19:39:35,828 copying htmd/config.py -> build/lib/htmd 2026-05-04T19:39:35,830 copying htmd/__init__.py -> build/lib/htmd 2026-05-04T19:39:35,832 copying htmd/kinetics.py -> build/lib/htmd 2026-05-04T19:39:35,834 copying htmd/versionwarnings.py -> build/lib/htmd 2026-05-04T19:39:35,836 copying htmd/home.py -> build/lib/htmd 2026-05-04T19:39:35,839 creating build/lib/htmd/membranebuilder 2026-05-04T19:39:35,840 copying htmd/membranebuilder/ringpenetration.py -> build/lib/htmd/membranebuilder 2026-05-04T19:39:35,842 copying htmd/membranebuilder/ljfluid.py -> build/lib/htmd/membranebuilder 2026-05-04T19:39:35,844 copying htmd/membranebuilder/build_membrane.py -> build/lib/htmd/membranebuilder 2026-05-04T19:39:35,847 copying htmd/membranebuilder/globalminimization.py -> build/lib/htmd/membranebuilder 2026-05-04T19:39:35,849 copying htmd/membranebuilder/__init__.py -> build/lib/htmd/membranebuilder 2026-05-04T19:39:35,851 creating build/lib/htmd/clustering 2026-05-04T19:39:35,852 copying htmd/clustering/regular.py -> build/lib/htmd/clustering 2026-05-04T19:39:35,854 copying htmd/clustering/kcenters.py -> build/lib/htmd/clustering 2026-05-04T19:39:35,857 copying htmd/clustering/__init__.py -> build/lib/htmd/clustering 2026-05-04T19:39:35,859 creating build/lib/htmd/projections 2026-05-04T19:39:35,860 copying htmd/projections/gwpca.py -> build/lib/htmd/projections 2026-05-04T19:39:35,862 copying htmd/projections/kmeanstri.py -> build/lib/htmd/projections 2026-05-04T19:39:35,864 copying htmd/projections/tica.py -> build/lib/htmd/projections 2026-05-04T19:39:35,867 copying htmd/projections/metric.py -> build/lib/htmd/projections 2026-05-04T19:39:35,869 copying htmd/projections/__init__.py -> build/lib/htmd/projections 2026-05-04T19:39:35,872 creating build/lib/htmd/adaptive 2026-05-04T19:39:35,873 copying htmd/adaptive/util.py -> build/lib/htmd/adaptive 2026-05-04T19:39:35,875 copying htmd/adaptive/adaptivegoaleg.py -> build/lib/htmd/adaptive 2026-05-04T19:39:35,877 copying htmd/adaptive/adaptivebandit.py -> build/lib/htmd/adaptive 2026-05-04T19:39:35,880 copying htmd/adaptive/adaptivegoal.py -> build/lib/htmd/adaptive 2026-05-04T19:39:35,883 copying htmd/adaptive/adaptiverun.py -> build/lib/htmd/adaptive 2026-05-04T19:39:35,885 copying htmd/adaptive/adaptive.py -> build/lib/htmd/adaptive 2026-05-04T19:39:35,888 copying htmd/adaptive/__init__.py -> build/lib/htmd/adaptive 2026-05-04T19:39:35,890 creating build/lib/htmd/builder 2026-05-04T19:39:35,891 copying htmd/builder/charmm.py -> build/lib/htmd/builder 2026-05-04T19:39:35,894 copying htmd/builder/ionize.py -> build/lib/htmd/builder 2026-05-04T19:39:35,896 copying htmd/builder/builder.py -> build/lib/htmd/builder 2026-05-04T19:39:35,899 copying htmd/builder/solvate.py -> build/lib/htmd/builder 2026-05-04T19:39:35,901 copying htmd/builder/nonstandard.py -> build/lib/htmd/builder 2026-05-04T19:39:35,905 copying htmd/builder/loopmodeler.py -> build/lib/htmd/builder 2026-05-04T19:39:35,907 copying htmd/builder/noncanonical.py -> build/lib/htmd/builder 2026-05-04T19:39:35,909 copying htmd/builder/__init__.py -> build/lib/htmd/builder 2026-05-04T19:39:35,911 copying htmd/builder/amber.py -> build/lib/htmd/builder 2026-05-04T19:39:35,948 creating build/lib/htmd/share 2026-05-04T19:39:35,949 copying htmd/share/license-checker -> build/lib/htmd/share 2026-05-04T19:39:35,959 creating build/lib/htmd/share/membranebuilder/lipids 2026-05-04T19:39:35,961 copying htmd/share/membranebuilder/lipids/lipiddb.csv -> build/lib/htmd/share/membranebuilder/lipids 2026-05-04T19:39:35,963 creating build/lib/htmd/share/membranebuilder/lipids/chl1 2026-05-04T19:39:35,964 copying htmd/share/membranebuilder/lipids/chl1/chl1.pdb -> build/lib/htmd/share/membranebuilder/lipids/chl1 2026-05-04T19:39:35,967 creating build/lib/htmd/share/membranebuilder/lipids/pope 2026-05-04T19:39:35,968 copying htmd/share/membranebuilder/lipids/pope/pope.pdb -> build/lib/htmd/share/membranebuilder/lipids/pope 2026-05-04T19:39:35,970 creating build/lib/htmd/share/membranebuilder/lipids/popc 2026-05-04T19:39:35,972 copying htmd/share/membranebuilder/lipids/popc/popc.pdb -> build/lib/htmd/share/membranebuilder/lipids/popc 2026-05-04T19:39:35,974 creating build/lib/htmd/share/solvate 2026-05-04T19:39:35,975 copying htmd/share/solvate/wat.pdb -> build/lib/htmd/share/solvate 2026-05-04T19:39:36,016 creating build/lib/htmd/share/builder 2026-05-04T19:39:36,017 copying htmd/share/builder/triala_capped.cif -> build/lib/htmd/share/builder 2026-05-04T19:39:36,020 copying htmd/share/builder/triala_capped.mmtf -> build/lib/htmd/share/builder 2026-05-04T19:39:36,022 copying htmd/share/builder/charmmlipid2amber.csv -> build/lib/htmd/share/builder 2026-05-04T19:39:36,028 creating build/lib/htmd/share/builder/caps 2026-05-04T19:39:36,029 copying htmd/share/builder/caps/NME.pdb -> build/lib/htmd/share/builder/caps 2026-05-04T19:39:36,031 copying htmd/share/builder/caps/ACE.cif -> build/lib/htmd/share/builder/caps 2026-05-04T19:39:36,033 copying htmd/share/builder/caps/ACE.pdb -> build/lib/htmd/share/builder/caps 2026-05-04T19:39:36,035 copying htmd/share/builder/caps/NME.cif -> build/lib/htmd/share/builder/caps 2026-05-04T19:39:36,037 copying htmd/share/builder/caps/NHE.pdb -> build/lib/htmd/share/builder/caps 2026-05-04T19:39:36,039 creating build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,040 copying htmd/share/builder/amberfiles/ff-ptm/DAH.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,043 copying htmd/share/builder/amberfiles/ff-ptm/CGU.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,045 copying htmd/share/builder/amberfiles/ff-ptm/ffptm.in -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,048 copying htmd/share/builder/amberfiles/ff-ptm/4PQ.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,051 copying htmd/share/builder/amberfiles/ff-ptm/BTK.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,053 copying htmd/share/builder/amberfiles/ff-ptm/BTK.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,055 copying htmd/share/builder/amberfiles/ff-ptm/TPO.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,057 copying htmd/share/builder/amberfiles/ff-ptm/DA2.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,059 copying htmd/share/builder/amberfiles/ff-ptm/PRK.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,061 copying htmd/share/builder/amberfiles/ff-ptm/P1L.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,064 copying htmd/share/builder/amberfiles/ff-ptm/M3L.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,066 copying htmd/share/builder/amberfiles/ff-ptm/ORM.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,068 copying htmd/share/builder/amberfiles/ff-ptm/MLY.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,069 copying htmd/share/builder/amberfiles/ff-ptm/PCA.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,071 copying htmd/share/builder/amberfiles/ff-ptm/CSP.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,073 copying htmd/share/builder/amberfiles/ff-ptm/CSO.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,075 copying htmd/share/builder/amberfiles/ff-ptm/2MR.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,077 copying htmd/share/builder/amberfiles/ff-ptm/0AF.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,079 copying htmd/share/builder/amberfiles/ff-ptm/M3L.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,081 copying htmd/share/builder/amberfiles/ff-ptm/0AF.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,083 copying htmd/share/builder/amberfiles/ff-ptm/CSP.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,085 copying htmd/share/builder/amberfiles/ff-ptm/SEP.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,087 copying htmd/share/builder/amberfiles/ff-ptm/TPO.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,090 copying htmd/share/builder/amberfiles/ff-ptm/ALY.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,092 copying htmd/share/builder/amberfiles/ff-ptm/LYZ.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,094 copying htmd/share/builder/amberfiles/ff-ptm/HYP.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,096 copying htmd/share/builder/amberfiles/ff-ptm/MLY.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,098 copying htmd/share/builder/amberfiles/ff-ptm/LYZ.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,100 copying htmd/share/builder/amberfiles/ff-ptm/4PQ.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,102 copying htmd/share/builder/amberfiles/ff-ptm/DA2.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,104 copying htmd/share/builder/amberfiles/ff-ptm/PTR.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,106 copying htmd/share/builder/amberfiles/ff-ptm/PCA.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,108 copying htmd/share/builder/amberfiles/ff-ptm/PTR.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,110 copying htmd/share/builder/amberfiles/ff-ptm/ALY.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,112 copying htmd/share/builder/amberfiles/ff-ptm/CGU.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,114 copying htmd/share/builder/amberfiles/ff-ptm/2MR.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,116 copying htmd/share/builder/amberfiles/ff-ptm/HY3.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,118 copying htmd/share/builder/amberfiles/ff-ptm/DAH.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,120 copying htmd/share/builder/amberfiles/ff-ptm/CSS.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,123 copying htmd/share/builder/amberfiles/ff-ptm/HYP.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,124 copying htmd/share/builder/amberfiles/ff-ptm/CSO.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,126 copying htmd/share/builder/amberfiles/ff-ptm/P1L.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,128 copying htmd/share/builder/amberfiles/ff-ptm/SEP.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,130 copying htmd/share/builder/amberfiles/ff-ptm/README.txt -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,132 copying htmd/share/builder/amberfiles/ff-ptm/HY3.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,134 copying htmd/share/builder/amberfiles/ff-ptm/ORM.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,136 copying htmd/share/builder/amberfiles/ff-ptm/PRK.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,138 copying htmd/share/builder/amberfiles/ff-ptm/CSS.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:36,140 creating build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,141 copying htmd/share/builder/amberfiles/ff-ncaa/0BN.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,143 copying htmd/share/builder/amberfiles/ff-ncaa/NAL.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,145 copying htmd/share/builder/amberfiles/ff-ncaa/HLU.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,147 copying htmd/share/builder/amberfiles/ff-ncaa/TY2.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,149 copying htmd/share/builder/amberfiles/ff-ncaa/NVA.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,151 copying htmd/share/builder/amberfiles/ff-ncaa/HQA.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,154 copying htmd/share/builder/amberfiles/ff-ncaa/HPE.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,156 copying htmd/share/builder/amberfiles/ff-ncaa/MEA.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,158 copying htmd/share/builder/amberfiles/ff-ncaa/CCS.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,160 copying htmd/share/builder/amberfiles/ff-ncaa/03Y.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,162 copying htmd/share/builder/amberfiles/ff-ncaa/AHP.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,164 copying htmd/share/builder/amberfiles/ff-ncaa/HLX.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,165 copying htmd/share/builder/amberfiles/ff-ncaa/HTR.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,168 copying htmd/share/builder/amberfiles/ff-ncaa/I2M.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,170 copying htmd/share/builder/amberfiles/ff-ncaa/GME.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,172 copying htmd/share/builder/amberfiles/ff-ncaa/OCY.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,174 copying htmd/share/builder/amberfiles/ff-ncaa/HOX.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,176 copying htmd/share/builder/amberfiles/ff-ncaa/GHG.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,178 copying htmd/share/builder/amberfiles/ff-ncaa/CSA.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,180 copying htmd/share/builder/amberfiles/ff-ncaa/YNM.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,182 copying htmd/share/builder/amberfiles/ff-ncaa/MEQ.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,184 copying htmd/share/builder/amberfiles/ff-ncaa/ME0.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,186 copying htmd/share/builder/amberfiles/ff-ncaa/GME.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,188 copying htmd/share/builder/amberfiles/ff-ncaa/BB8.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,190 copying htmd/share/builder/amberfiles/ff-ncaa/NLE.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,192 copying htmd/share/builder/amberfiles/ff-ncaa/2GX.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,194 copying htmd/share/builder/amberfiles/ff-ncaa/MEN.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,195 copying htmd/share/builder/amberfiles/ff-ncaa/TYQ.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,197 copying htmd/share/builder/amberfiles/ff-ncaa/APD.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,199 copying htmd/share/builder/amberfiles/ff-ncaa/LME.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,201 copying htmd/share/builder/amberfiles/ff-ncaa/GNC.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,203 copying htmd/share/builder/amberfiles/ff-ncaa/ESC.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,205 copying htmd/share/builder/amberfiles/ff-ncaa/NVA.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,207 copying htmd/share/builder/amberfiles/ff-ncaa/1MH.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,209 copying htmd/share/builder/amberfiles/ff-ncaa/TRO.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,211 copying htmd/share/builder/amberfiles/ff-ncaa/HLX.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,214 copying htmd/share/builder/amberfiles/ff-ncaa/MVA.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,216 copying htmd/share/builder/amberfiles/ff-ncaa/2ML.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,218 copying htmd/share/builder/amberfiles/ff-ncaa/HLU.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,220 copying htmd/share/builder/amberfiles/ff-ncaa/IGL.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,222 copying htmd/share/builder/amberfiles/ff-ncaa/CCS.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,224 copying htmd/share/builder/amberfiles/ff-ncaa/ALC.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,226 copying htmd/share/builder/amberfiles/ff-ncaa/TYQ.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,229 copying htmd/share/builder/amberfiles/ff-ncaa/IIL.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,231 copying htmd/share/builder/amberfiles/ff-ncaa/MVA.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,233 copying htmd/share/builder/amberfiles/ff-ncaa/0A1.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,235 copying htmd/share/builder/amberfiles/ff-ncaa/1MH.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,237 copying htmd/share/builder/amberfiles/ff-ncaa/OMX.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,240 copying htmd/share/builder/amberfiles/ff-ncaa/AHP.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,242 copying htmd/share/builder/amberfiles/ff-ncaa/LME.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,244 copying htmd/share/builder/amberfiles/ff-ncaa/0A1.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,246 copying htmd/share/builder/amberfiles/ff-ncaa/GHG.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,249 copying htmd/share/builder/amberfiles/ff-ncaa/IGL.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,251 copying htmd/share/builder/amberfiles/ff-ncaa/MMO.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,253 copying htmd/share/builder/amberfiles/ff-ncaa/MEN.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,255 copying htmd/share/builder/amberfiles/ff-ncaa/HTR.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,257 copying htmd/share/builder/amberfiles/ff-ncaa/LMQ.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,260 copying htmd/share/builder/amberfiles/ff-ncaa/ONL.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,262 copying htmd/share/builder/amberfiles/ff-ncaa/D4P.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,264 copying htmd/share/builder/amberfiles/ff-ncaa/4IN.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,266 copying htmd/share/builder/amberfiles/ff-ncaa/MLE.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,268 copying htmd/share/builder/amberfiles/ff-ncaa/ABA.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,270 copying htmd/share/builder/amberfiles/ff-ncaa/HHK.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,272 copying htmd/share/builder/amberfiles/ff-ncaa/HOX.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,275 copying htmd/share/builder/amberfiles/ff-ncaa/OMX.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,277 copying htmd/share/builder/amberfiles/ff-ncaa/4PH.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,280 copying htmd/share/builder/amberfiles/ff-ncaa/5JP.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,282 copying htmd/share/builder/amberfiles/ff-ncaa/4PH.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,285 copying htmd/share/builder/amberfiles/ff-ncaa/NLE.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,288 copying htmd/share/builder/amberfiles/ff-ncaa/BCS.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,291 copying htmd/share/builder/amberfiles/ff-ncaa/ALC.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,293 copying htmd/share/builder/amberfiles/ff-ncaa/03Y.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,296 copying htmd/share/builder/amberfiles/ff-ncaa/DPP.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,298 copying htmd/share/builder/amberfiles/ff-ncaa/MEA.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,301 copying htmd/share/builder/amberfiles/ff-ncaa/YNM.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,304 copying htmd/share/builder/amberfiles/ff-ncaa/004.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,307 copying htmd/share/builder/amberfiles/ff-ncaa/ME0.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,309 copying htmd/share/builder/amberfiles/ff-ncaa/MLZ.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,312 copying htmd/share/builder/amberfiles/ff-ncaa/TY2.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,315 copying htmd/share/builder/amberfiles/ff-ncaa/DPP.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,317 copying htmd/share/builder/amberfiles/ff-ncaa/AA4.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,320 copying htmd/share/builder/amberfiles/ff-ncaa/D4P.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,322 copying htmd/share/builder/amberfiles/ff-ncaa/NCY.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,325 copying htmd/share/builder/amberfiles/ff-ncaa/HHK.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,328 copying htmd/share/builder/amberfiles/ff-ncaa/ONL.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,331 copying htmd/share/builder/amberfiles/ff-ncaa/2ML.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,333 copying htmd/share/builder/amberfiles/ff-ncaa/FGL.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,336 copying htmd/share/builder/amberfiles/ff-ncaa/ALN.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,339 copying htmd/share/builder/amberfiles/ff-ncaa/APD.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,341 copying htmd/share/builder/amberfiles/ff-ncaa/NCY.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,344 copying htmd/share/builder/amberfiles/ff-ncaa/MEQ.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,347 copying htmd/share/builder/amberfiles/ff-ncaa/YCM.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,349 copying htmd/share/builder/amberfiles/ff-ncaa/MME.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,352 copying htmd/share/builder/amberfiles/ff-ncaa/FGL.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,355 copying htmd/share/builder/amberfiles/ff-ncaa/HQA.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,357 copying htmd/share/builder/amberfiles/ff-ncaa/2GX.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,360 copying htmd/share/builder/amberfiles/ff-ncaa/YCM.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,363 copying htmd/share/builder/amberfiles/ff-ncaa/NZC.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,365 copying htmd/share/builder/amberfiles/ff-ncaa/2AS.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,368 copying htmd/share/builder/amberfiles/ff-ncaa/GNC.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,370 copying htmd/share/builder/amberfiles/ff-ncaa/I2M.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,373 copying htmd/share/builder/amberfiles/ff-ncaa/MME.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,376 copying htmd/share/builder/amberfiles/ff-ncaa/HPE.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,378 copying htmd/share/builder/amberfiles/ff-ncaa/BCS.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,380 copying htmd/share/builder/amberfiles/ff-ncaa/BB8.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,382 copying htmd/share/builder/amberfiles/ff-ncaa/NAL.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,385 copying htmd/share/builder/amberfiles/ff-ncaa/5JP.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,387 copying htmd/share/builder/amberfiles/ff-ncaa/AA4.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,390 copying htmd/share/builder/amberfiles/ff-ncaa/MLZ.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,392 copying htmd/share/builder/amberfiles/ff-ncaa/MLE.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,395 copying htmd/share/builder/amberfiles/ff-ncaa/README.txt -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,397 copying htmd/share/builder/amberfiles/ff-ncaa/ALN.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,399 copying htmd/share/builder/amberfiles/ff-ncaa/4IN.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,402 copying htmd/share/builder/amberfiles/ff-ncaa/DAB.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,404 copying htmd/share/builder/amberfiles/ff-ncaa/DAB.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,406 copying htmd/share/builder/amberfiles/ff-ncaa/ABA.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,408 copying htmd/share/builder/amberfiles/ff-ncaa/CSA.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,410 copying htmd/share/builder/amberfiles/ff-ncaa/2AS.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,412 copying htmd/share/builder/amberfiles/ff-ncaa/ffncaa.in -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,416 copying htmd/share/builder/amberfiles/ff-ncaa/KYN.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,418 copying htmd/share/builder/amberfiles/ff-ncaa/NZC.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,421 copying htmd/share/builder/amberfiles/ff-ncaa/0BN.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,423 copying htmd/share/builder/amberfiles/ff-ncaa/IML.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,425 copying htmd/share/builder/amberfiles/ff-ncaa/004.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,427 copying htmd/share/builder/amberfiles/ff-ncaa/KYN.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,429 copying htmd/share/builder/amberfiles/ff-ncaa/LMQ.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,431 copying htmd/share/builder/amberfiles/ff-ncaa/OCY.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,433 copying htmd/share/builder/amberfiles/ff-ncaa/MMO.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,436 copying htmd/share/builder/amberfiles/ff-ncaa/TRO.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,438 copying htmd/share/builder/amberfiles/ff-ncaa/IML.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,440 copying htmd/share/builder/amberfiles/ff-ncaa/ESC.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,442 copying htmd/share/builder/amberfiles/ff-ncaa/IIL.prepi -> build/lib/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:36,444 creating build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,445 copying htmd/share/builder/amberfiles/cofactors/ADP.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,447 copying htmd/share/builder/amberfiles/cofactors/NAP.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,450 copying htmd/share/builder/amberfiles/cofactors/GTP.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,452 copying htmd/share/builder/amberfiles/cofactors/AMP.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,454 copying htmd/share/builder/amberfiles/cofactors/GTP.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,456 copying htmd/share/builder/amberfiles/cofactors/NAI.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,459 copying htmd/share/builder/amberfiles/cofactors/GDP.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,461 copying htmd/share/builder/amberfiles/cofactors/ADP.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,463 copying htmd/share/builder/amberfiles/cofactors/FMN.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,465 copying htmd/share/builder/amberfiles/cofactors/FMN.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,468 copying htmd/share/builder/amberfiles/cofactors/NAI.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,470 copying htmd/share/builder/amberfiles/cofactors/cofactors.in -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,473 copying htmd/share/builder/amberfiles/cofactors/GDP.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,475 copying htmd/share/builder/amberfiles/cofactors/NAD.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,477 copying htmd/share/builder/amberfiles/cofactors/HEM.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,480 copying htmd/share/builder/amberfiles/cofactors/ATP.prepi -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,482 copying htmd/share/builder/amberfiles/cofactors/NAD.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,484 copying htmd/share/builder/amberfiles/cofactors/ATP.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,486 copying htmd/share/builder/amberfiles/cofactors/README.txt -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,488 copying htmd/share/builder/amberfiles/cofactors/NAP.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,490 copying htmd/share/builder/amberfiles/cofactors/AMP.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,492 copying htmd/share/builder/amberfiles/cofactors/HEM.frcmod -> build/lib/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:36,494 creating build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:36,495 copying htmd/share/builder/amberfiles/ff-nucleic-OL15/leap-ff-nucleic-OL15.in -> build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:36,497 copying htmd/share/builder/amberfiles/ff-nucleic-OL15/ff-nucleic-OL15.lib -> build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:36,501 copying htmd/share/builder/amberfiles/ff-nucleic-OL15/ff-nucleic-OL15.frcmod -> build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:36,504 copying htmd/share/builder/amberfiles/ff-nucleic-OL15/leaprc.ff-nucleic-OL15 -> build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:36,506 copying htmd/share/builder/amberfiles/ff-nucleic-OL15/README.txt -> build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:36,508 copying htmd/share/builder/amberfiles/ff-nucleic-OL15/leap.log -> build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:36,511 creating build/lib/htmd/share/builder/charmmfiles 2026-05-04T19:39:36,512 copying htmd/share/builder/charmmfiles/Makefile -> build/lib/htmd/share/builder/charmmfiles 2026-05-04T19:39:36,514 copying htmd/share/builder/charmmfiles/README.md -> build/lib/htmd/share/builder/charmmfiles 2026-05-04T19:39:36,516 creating build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,517 copying htmd/share/builder/charmmfiles/par/par_all22_prot.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,523 copying htmd/share/builder/charmmfiles/par/par_all36_lipid.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,526 copying htmd/share/builder/charmmfiles/par/par_all36_carb.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,531 copying htmd/share/builder/charmmfiles/par/par_water_ions.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,533 copying htmd/share/builder/charmmfiles/par/par_all36m_prot.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,540 copying htmd/share/builder/charmmfiles/par/par_all36_lipid_ljpme.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,543 copying htmd/share/builder/charmmfiles/par/par_all35_ethers.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,546 copying htmd/share/builder/charmmfiles/par/par_all22star_prot.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,551 copying htmd/share/builder/charmmfiles/par/par_all36_cgenff.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,570 copying htmd/share/builder/charmmfiles/par/par_all36_na.prm -> build/lib/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:36,573 creating build/lib/htmd/share/builder/charmmfiles/str 2026-05-04T19:39:36,574 copying htmd/share/builder/charmmfiles/str/toppar_water_ions.str -> build/lib/htmd/share/builder/charmmfiles/str 2026-05-04T19:39:36,577 creating build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,578 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_list.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,581 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_bacterial.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,588 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_sphingo.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,596 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cholesterol.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,600 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_yeast.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,604 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_model.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,608 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_lps.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,642 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_ether.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,647 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_miscellaneous.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,671 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_bacterial_ljpme.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,681 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_detergent.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,705 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_prot.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,709 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_yeast_ljpme.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,713 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_inositol.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,742 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cationpi_wyf.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,744 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cardiolipin.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,756 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_ether_ljpme.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,762 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_miscellaneous_ljpme.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,775 copying htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cholesterol_model_1.str -> build/lib/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:36,778 creating build/lib/htmd/share/builder/charmmfiles/str/cphmd 2026-05-04T19:39:36,779 copying htmd/share/builder/charmmfiles/str/cphmd/protpatch_protein_toppar36.str -> build/lib/htmd/share/builder/charmmfiles/str/cphmd 2026-05-04T19:39:36,782 creating build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,783 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_model.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,787 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_modify_res.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,817 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_heme_for_new_psf_gen_code_2022.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,820 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_heme.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,823 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_c36m_d_aminoacids.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,828 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_aldehydes.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,830 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_pyridines.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,834 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_cofactors.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,840 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_retinol.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,844 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_arg0.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,846 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_na_combined.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,850 copying htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_fluoro_alkanes.str -> build/lib/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:36,853 creating build/lib/htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:36,854 copying htmd/share/builder/charmmfiles/str/na/toppar_all36_na_rna_modified_for_new_psf_gen_code_2022.str -> build/lib/htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:36,877 copying htmd/share/builder/charmmfiles/str/na/toppar_all36_na_reactive_rna.str -> build/lib/htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:36,881 copying htmd/share/builder/charmmfiles/str/na/toppar_all36_na_nad_ppi.str -> build/lib/htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:36,887 copying htmd/share/builder/charmmfiles/str/na/toppar_all36_na_rna_modified.str -> build/lib/htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:36,906 copying htmd/share/builder/charmmfiles/str/na/toppar_all36_na_model.str -> build/lib/htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:36,911 copying htmd/share/builder/charmmfiles/str/na/toppar_all36_na_modifications.str -> build/lib/htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:36,918 creating build/lib/htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:36,919 copying htmd/share/builder/charmmfiles/str/misc/toppar_ions_won.str -> build/lib/htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:36,922 copying htmd/share/builder/charmmfiles/str/misc/toppar_dum_noble_gases.str -> build/lib/htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:36,924 copying htmd/share/builder/charmmfiles/str/misc/toppar_cgenff_misc.str -> build/lib/htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:36,927 copying htmd/share/builder/charmmfiles/str/misc/toppar_amines.str -> build/lib/htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:36,930 copying htmd/share/builder/charmmfiles/str/misc/toppar_hbond.str -> build/lib/htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:36,932 creating build/lib/htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:36,933 copying htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_glycolipid.str -> build/lib/htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:36,952 copying htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_imlab.str -> build/lib/htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:36,975 copying htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_model.str -> build/lib/htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:36,979 copying htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_lignin.str -> build/lib/htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:36,983 copying htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_glycopeptide.str -> build/lib/htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:36,987 creating build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:36,988 copying htmd/share/builder/charmmfiles/top/top_all36_carb.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:36,995 copying htmd/share/builder/charmmfiles/top/top_all36_prot.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:36,999 copying htmd/share/builder/charmmfiles/top/top_all36_lipid.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:37,010 copying htmd/share/builder/charmmfiles/top/top_all36_lipid_ljpme.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:37,023 copying htmd/share/builder/charmmfiles/top/top_all36_na.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:37,027 copying htmd/share/builder/charmmfiles/top/top_all36_cgenff.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:37,076 copying htmd/share/builder/charmmfiles/top/top_all22_prot.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:37,080 copying htmd/share/builder/charmmfiles/top/top_all22star_prot.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:37,085 copying htmd/share/builder/charmmfiles/top/top_all35_ethers.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:37,089 copying htmd/share/builder/charmmfiles/top/top_water_ions.rtf -> build/lib/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:37,114 installing to build/bdist.linux-armv7l/wheel 2026-05-04T19:39:37,115 running install 2026-05-04T19:39:37,150 running install_lib 2026-05-04T19:39:37,160 creating build/bdist.linux-armv7l/wheel 2026-05-04T19:39:37,163 creating build/bdist.linux-armv7l/wheel/htmd 2026-05-04T19:39:37,164 copying build/lib/htmd/units.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,167 copying build/lib/htmd/util.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,170 creating build/bdist.linux-armv7l/wheel/htmd/membranebuilder 2026-05-04T19:39:37,171 copying build/lib/htmd/membranebuilder/ringpenetration.py -> build/bdist.linux-armv7l/wheel/./htmd/membranebuilder 2026-05-04T19:39:37,174 copying build/lib/htmd/membranebuilder/ljfluid.py -> build/bdist.linux-armv7l/wheel/./htmd/membranebuilder 2026-05-04T19:39:37,177 copying build/lib/htmd/membranebuilder/build_membrane.py -> build/bdist.linux-armv7l/wheel/./htmd/membranebuilder 2026-05-04T19:39:37,179 copying build/lib/htmd/membranebuilder/globalminimization.py -> build/bdist.linux-armv7l/wheel/./htmd/membranebuilder 2026-05-04T19:39:37,181 copying build/lib/htmd/membranebuilder/__init__.py -> build/bdist.linux-armv7l/wheel/./htmd/membranebuilder 2026-05-04T19:39:37,183 copying build/lib/htmd/ui.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,185 copying build/lib/htmd/pathplanning.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,188 copying build/lib/htmd/model.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,191 copying build/lib/htmd/metricdata.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,194 copying build/lib/htmd/dock.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,196 copying build/lib/htmd/session.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,198 copying build/lib/htmd/parallelprogress.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,200 copying build/lib/htmd/simlist.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,202 copying build/lib/htmd/latest.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,205 creating build/bdist.linux-armv7l/wheel/htmd/clustering 2026-05-04T19:39:37,206 copying build/lib/htmd/clustering/regular.py -> build/bdist.linux-armv7l/wheel/./htmd/clustering 2026-05-04T19:39:37,208 copying build/lib/htmd/clustering/kcenters.py -> build/bdist.linux-armv7l/wheel/./htmd/clustering 2026-05-04T19:39:37,210 copying build/lib/htmd/clustering/__init__.py -> build/bdist.linux-armv7l/wheel/./htmd/clustering 2026-05-04T19:39:37,212 copying build/lib/htmd/license.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,214 copying build/lib/htmd/mutualinformation.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:37,217 creating build/bdist.linux-armv7l/wheel/htmd/share 2026-05-04T19:39:37,218 creating build/bdist.linux-armv7l/wheel/htmd/share/membranebuilder 2026-05-04T19:39:37,220 creating build/bdist.linux-armv7l/wheel/htmd/share/membranebuilder/lipids 2026-05-04T19:39:37,222 creating build/bdist.linux-armv7l/wheel/htmd/share/membranebuilder/lipids/chl1 2026-05-04T19:39:37,223 copying build/lib/htmd/share/membranebuilder/lipids/chl1/chl1.pdb -> build/bdist.linux-armv7l/wheel/./htmd/share/membranebuilder/lipids/chl1 2026-05-04T19:39:37,226 creating build/bdist.linux-armv7l/wheel/htmd/share/membranebuilder/lipids/pope 2026-05-04T19:39:37,227 copying build/lib/htmd/share/membranebuilder/lipids/pope/pope.pdb -> build/bdist.linux-armv7l/wheel/./htmd/share/membranebuilder/lipids/pope 2026-05-04T19:39:37,229 copying build/lib/htmd/share/membranebuilder/lipids/lipiddb.csv -> build/bdist.linux-armv7l/wheel/./htmd/share/membranebuilder/lipids 2026-05-04T19:39:37,231 creating build/bdist.linux-armv7l/wheel/htmd/share/membranebuilder/lipids/popc 2026-05-04T19:39:37,232 copying build/lib/htmd/share/membranebuilder/lipids/popc/popc.pdb -> build/bdist.linux-armv7l/wheel/./htmd/share/membranebuilder/lipids/popc 2026-05-04T19:39:37,235 copying build/lib/htmd/share/license-checker -> build/bdist.linux-armv7l/wheel/./htmd/share 2026-05-04T19:39:37,245 creating build/bdist.linux-armv7l/wheel/htmd/share/solvate 2026-05-04T19:39:37,246 copying build/lib/htmd/share/solvate/wat.pdb -> build/bdist.linux-armv7l/wheel/./htmd/share/solvate 2026-05-04T19:39:37,286 creating build/bdist.linux-armv7l/wheel/htmd/share/builder 2026-05-04T19:39:37,288 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/caps 2026-05-04T19:39:37,289 copying build/lib/htmd/share/builder/caps/NME.pdb -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/caps 2026-05-04T19:39:37,292 copying build/lib/htmd/share/builder/caps/ACE.cif -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/caps 2026-05-04T19:39:37,294 copying build/lib/htmd/share/builder/caps/ACE.pdb -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/caps 2026-05-04T19:39:37,295 copying build/lib/htmd/share/builder/caps/NME.cif -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/caps 2026-05-04T19:39:37,297 copying build/lib/htmd/share/builder/caps/NHE.pdb -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/caps 2026-05-04T19:39:37,299 copying build/lib/htmd/share/builder/triala_capped.cif -> build/bdist.linux-armv7l/wheel/./htmd/share/builder 2026-05-04T19:39:37,301 copying build/lib/htmd/share/builder/triala_capped.mmtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder 2026-05-04T19:39:37,303 copying build/lib/htmd/share/builder/charmmlipid2amber.csv -> build/bdist.linux-armv7l/wheel/./htmd/share/builder 2026-05-04T19:39:37,309 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/amberfiles 2026-05-04T19:39:37,311 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,312 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/DAH.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,314 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/CGU.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,316 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/ffptm.in -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,320 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/4PQ.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,321 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/BTK.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,323 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/BTK.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,325 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/TPO.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,327 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/DA2.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,329 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/PRK.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,331 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/P1L.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,333 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/M3L.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,335 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/ORM.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,337 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/MLY.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,338 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/PCA.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,340 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/CSP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,342 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/CSO.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,344 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/2MR.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,346 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/0AF.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,347 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/M3L.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,349 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/0AF.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,351 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/CSP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,353 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/SEP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,354 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/TPO.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,356 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/ALY.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,358 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/LYZ.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,360 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/HYP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,362 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/MLY.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,364 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/LYZ.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,366 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/4PQ.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,367 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/DA2.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,369 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/PTR.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,370 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/PCA.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,372 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/PTR.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,374 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/ALY.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,375 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/CGU.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,377 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/2MR.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,379 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/HY3.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,381 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/DAH.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,382 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/CSS.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,384 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/HYP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,386 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/CSO.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,388 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/P1L.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,390 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/SEP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,392 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/README.txt -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,394 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/HY3.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,396 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/ORM.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,397 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/PRK.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,399 copying build/lib/htmd/share/builder/amberfiles/ff-ptm/CSS.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ptm 2026-05-04T19:39:37,404 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,405 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/0BN.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,407 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NAL.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,409 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HLU.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,411 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/TY2.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,413 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NVA.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,414 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HQA.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,416 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HPE.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,418 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MEA.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,420 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/CCS.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,422 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/03Y.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,423 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/AHP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,425 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HLX.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,427 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HTR.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,429 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/I2M.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,430 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/GME.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,432 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/OCY.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,434 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HOX.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,436 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/GHG.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,437 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/CSA.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,439 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/YNM.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,441 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MEQ.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,443 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ME0.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,444 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/GME.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,446 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/BB8.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,448 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NLE.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,450 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/2GX.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,451 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MEN.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,453 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/TYQ.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,455 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/APD.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,457 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/LME.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,458 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/GNC.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,460 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ESC.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,462 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NVA.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,464 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/1MH.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,465 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/TRO.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,467 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HLX.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,469 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MVA.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,471 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/2ML.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,473 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HLU.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,475 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/IGL.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,477 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/CCS.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,479 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ALC.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,481 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/TYQ.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,483 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/IIL.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,485 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MVA.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,487 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/0A1.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,489 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/1MH.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,490 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/OMX.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,492 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/AHP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,494 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/LME.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,496 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/0A1.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,498 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/GHG.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,500 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/IGL.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,502 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MMO.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,504 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MEN.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,506 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HTR.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,507 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/LMQ.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,509 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ONL.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,511 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/D4P.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,513 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/4IN.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,514 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MLE.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,516 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ABA.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,518 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HHK.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,519 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HOX.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,521 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/OMX.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,523 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/4PH.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,525 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/5JP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,527 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/4PH.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,529 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NLE.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,531 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/BCS.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,532 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ALC.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,534 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/03Y.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,536 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/DPP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,538 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MEA.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,540 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/YNM.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,542 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/004.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,544 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ME0.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,546 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MLZ.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,548 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/TY2.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,549 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/DPP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,551 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/AA4.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,553 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/D4P.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,555 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NCY.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,556 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HHK.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,558 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ONL.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,560 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/2ML.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,562 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/FGL.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,564 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ALN.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,565 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/APD.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,567 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NCY.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,569 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MEQ.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,571 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/YCM.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,573 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MME.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,575 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/FGL.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,577 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HQA.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,578 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/2GX.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,580 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/YCM.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,582 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NZC.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,584 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/2AS.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,586 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/GNC.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,588 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/I2M.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,590 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MME.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,592 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/HPE.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,594 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/BCS.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,596 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/BB8.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,597 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NAL.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,599 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/5JP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,601 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/AA4.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,603 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MLZ.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,605 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MLE.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,607 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/README.txt -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,608 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ALN.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,611 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/4IN.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,613 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/DAB.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,614 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/DAB.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,616 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ABA.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,618 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/CSA.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,620 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/2AS.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,622 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ffncaa.in -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,626 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/KYN.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,628 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/NZC.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,630 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/0BN.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,632 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/IML.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,634 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/004.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,636 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/KYN.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,638 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/LMQ.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,640 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/OCY.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,642 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/MMO.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,644 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/TRO.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,645 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/IML.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,647 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/ESC.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,649 copying build/lib/htmd/share/builder/amberfiles/ff-ncaa/IIL.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-ncaa 2026-05-04T19:39:37,652 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,653 copying build/lib/htmd/share/builder/amberfiles/cofactors/ADP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,655 copying build/lib/htmd/share/builder/amberfiles/cofactors/NAP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,657 copying build/lib/htmd/share/builder/amberfiles/cofactors/GTP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,659 copying build/lib/htmd/share/builder/amberfiles/cofactors/AMP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,661 copying build/lib/htmd/share/builder/amberfiles/cofactors/GTP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,663 copying build/lib/htmd/share/builder/amberfiles/cofactors/NAI.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,666 copying build/lib/htmd/share/builder/amberfiles/cofactors/GDP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,668 copying build/lib/htmd/share/builder/amberfiles/cofactors/ADP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,670 copying build/lib/htmd/share/builder/amberfiles/cofactors/FMN.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,671 copying build/lib/htmd/share/builder/amberfiles/cofactors/FMN.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,674 copying build/lib/htmd/share/builder/amberfiles/cofactors/NAI.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,676 copying build/lib/htmd/share/builder/amberfiles/cofactors/cofactors.in -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,679 copying build/lib/htmd/share/builder/amberfiles/cofactors/GDP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,681 copying build/lib/htmd/share/builder/amberfiles/cofactors/NAD.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,683 copying build/lib/htmd/share/builder/amberfiles/cofactors/HEM.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,685 copying build/lib/htmd/share/builder/amberfiles/cofactors/ATP.prepi -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,687 copying build/lib/htmd/share/builder/amberfiles/cofactors/NAD.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,689 copying build/lib/htmd/share/builder/amberfiles/cofactors/ATP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,691 copying build/lib/htmd/share/builder/amberfiles/cofactors/README.txt -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,693 copying build/lib/htmd/share/builder/amberfiles/cofactors/NAP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,695 copying build/lib/htmd/share/builder/amberfiles/cofactors/AMP.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,697 copying build/lib/htmd/share/builder/amberfiles/cofactors/HEM.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/cofactors 2026-05-04T19:39:37,699 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:37,701 copying build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15/leap-ff-nucleic-OL15.in -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:37,703 copying build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15/ff-nucleic-OL15.lib -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:37,706 copying build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15/ff-nucleic-OL15.frcmod -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:37,708 copying build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15/leaprc.ff-nucleic-OL15 -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:37,710 copying build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15/README.txt -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:37,712 copying build/lib/htmd/share/builder/amberfiles/ff-nucleic-OL15/leap.log -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/amberfiles/ff-nucleic-OL15 2026-05-04T19:39:37,715 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles 2026-05-04T19:39:37,717 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,718 copying build/lib/htmd/share/builder/charmmfiles/par/par_all22_prot.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,723 copying build/lib/htmd/share/builder/charmmfiles/par/par_all36_lipid.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,726 copying build/lib/htmd/share/builder/charmmfiles/par/par_all36_carb.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,731 copying build/lib/htmd/share/builder/charmmfiles/par/par_water_ions.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,734 copying build/lib/htmd/share/builder/charmmfiles/par/par_all36m_prot.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,740 copying build/lib/htmd/share/builder/charmmfiles/par/par_all36_lipid_ljpme.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,743 copying build/lib/htmd/share/builder/charmmfiles/par/par_all35_ethers.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,747 copying build/lib/htmd/share/builder/charmmfiles/par/par_all22star_prot.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,752 copying build/lib/htmd/share/builder/charmmfiles/par/par_all36_cgenff.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,768 copying build/lib/htmd/share/builder/charmmfiles/par/par_all36_na.prm -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/par 2026-05-04T19:39:37,771 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles/str 2026-05-04T19:39:37,773 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,775 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_list.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,777 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_bacterial.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,786 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_sphingo.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,796 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cholesterol.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,800 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_yeast.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,805 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_model.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,810 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_lps.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,843 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_ether.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,848 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_miscellaneous.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,874 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_bacterial_ljpme.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,882 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_detergent.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,906 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_prot.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,911 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_yeast_ljpme.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,917 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_inositol.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,961 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cationpi_wyf.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,964 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cardiolipin.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,983 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_ether_ljpme.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:37,988 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_miscellaneous_ljpme.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:38,002 copying build/lib/htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cholesterol_model_1.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/lipid 2026-05-04T19:39:38,005 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles/str/cphmd 2026-05-04T19:39:38,006 copying build/lib/htmd/share/builder/charmmfiles/str/cphmd/protpatch_protein_toppar36.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/cphmd 2026-05-04T19:39:38,010 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,011 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_model.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,014 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_modify_res.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,042 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_heme_for_new_psf_gen_code_2022.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,045 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_heme.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,047 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_c36m_d_aminoacids.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,051 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_aldehydes.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,054 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_pyridines.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,056 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_cofactors.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,062 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_retinol.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,066 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_arg0.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,069 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_na_combined.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,072 copying build/lib/htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_fluoro_alkanes.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/prot 2026-05-04T19:39:38,075 copying build/lib/htmd/share/builder/charmmfiles/str/toppar_water_ions.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str 2026-05-04T19:39:38,078 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:38,079 copying build/lib/htmd/share/builder/charmmfiles/str/na/toppar_all36_na_rna_modified_for_new_psf_gen_code_2022.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:38,099 copying build/lib/htmd/share/builder/charmmfiles/str/na/toppar_all36_na_reactive_rna.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:38,102 copying build/lib/htmd/share/builder/charmmfiles/str/na/toppar_all36_na_nad_ppi.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:38,108 copying build/lib/htmd/share/builder/charmmfiles/str/na/toppar_all36_na_rna_modified.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:38,128 copying build/lib/htmd/share/builder/charmmfiles/str/na/toppar_all36_na_model.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:38,133 copying build/lib/htmd/share/builder/charmmfiles/str/na/toppar_all36_na_modifications.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/na 2026-05-04T19:39:38,140 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:38,142 copying build/lib/htmd/share/builder/charmmfiles/str/misc/toppar_ions_won.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:38,144 copying build/lib/htmd/share/builder/charmmfiles/str/misc/toppar_dum_noble_gases.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:38,146 copying build/lib/htmd/share/builder/charmmfiles/str/misc/toppar_cgenff_misc.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:38,148 copying build/lib/htmd/share/builder/charmmfiles/str/misc/toppar_amines.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:38,151 copying build/lib/htmd/share/builder/charmmfiles/str/misc/toppar_hbond.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/misc 2026-05-04T19:39:38,153 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:38,154 copying build/lib/htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_glycolipid.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:38,174 copying build/lib/htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_imlab.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:38,200 copying build/lib/htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_model.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:38,204 copying build/lib/htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_lignin.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:38,208 copying build/lib/htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_glycopeptide.str -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/str/carb 2026-05-04T19:39:38,210 copying build/lib/htmd/share/builder/charmmfiles/Makefile -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles 2026-05-04T19:39:38,212 copying build/lib/htmd/share/builder/charmmfiles/README.md -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles 2026-05-04T19:39:38,214 creating build/bdist.linux-armv7l/wheel/htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,215 copying build/lib/htmd/share/builder/charmmfiles/top/top_all36_carb.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,222 copying build/lib/htmd/share/builder/charmmfiles/top/top_all36_prot.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,225 copying build/lib/htmd/share/builder/charmmfiles/top/top_all36_lipid.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,237 copying build/lib/htmd/share/builder/charmmfiles/top/top_all36_lipid_ljpme.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,246 copying build/lib/htmd/share/builder/charmmfiles/top/top_all36_na.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,249 copying build/lib/htmd/share/builder/charmmfiles/top/top_all36_cgenff.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,292 copying build/lib/htmd/share/builder/charmmfiles/top/top_all22_prot.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,295 copying build/lib/htmd/share/builder/charmmfiles/top/top_all22star_prot.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,299 copying build/lib/htmd/share/builder/charmmfiles/top/top_all35_ethers.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,302 copying build/lib/htmd/share/builder/charmmfiles/top/top_water_ions.rtf -> build/bdist.linux-armv7l/wheel/./htmd/share/builder/charmmfiles/top 2026-05-04T19:39:38,305 creating build/bdist.linux-armv7l/wheel/htmd/projections 2026-05-04T19:39:38,306 copying build/lib/htmd/projections/gwpca.py -> build/bdist.linux-armv7l/wheel/./htmd/projections 2026-05-04T19:39:38,308 copying build/lib/htmd/projections/kmeanstri.py -> build/bdist.linux-armv7l/wheel/./htmd/projections 2026-05-04T19:39:38,310 copying build/lib/htmd/projections/tica.py -> build/bdist.linux-armv7l/wheel/./htmd/projections 2026-05-04T19:39:38,312 copying build/lib/htmd/projections/metric.py -> build/bdist.linux-armv7l/wheel/./htmd/projections 2026-05-04T19:39:38,314 copying build/lib/htmd/projections/__init__.py -> build/bdist.linux-armv7l/wheel/./htmd/projections 2026-05-04T19:39:38,316 copying build/lib/htmd/decorators.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:38,318 creating build/bdist.linux-armv7l/wheel/htmd/adaptive 2026-05-04T19:39:38,319 copying build/lib/htmd/adaptive/util.py -> build/bdist.linux-armv7l/wheel/./htmd/adaptive 2026-05-04T19:39:38,321 copying build/lib/htmd/adaptive/adaptivegoaleg.py -> build/bdist.linux-armv7l/wheel/./htmd/adaptive 2026-05-04T19:39:38,323 copying build/lib/htmd/adaptive/adaptivebandit.py -> build/bdist.linux-armv7l/wheel/./htmd/adaptive 2026-05-04T19:39:38,326 copying build/lib/htmd/adaptive/adaptivegoal.py -> build/bdist.linux-armv7l/wheel/./htmd/adaptive 2026-05-04T19:39:38,329 copying build/lib/htmd/adaptive/adaptiverun.py -> build/bdist.linux-armv7l/wheel/./htmd/adaptive 2026-05-04T19:39:38,331 copying build/lib/htmd/adaptive/adaptive.py -> build/bdist.linux-armv7l/wheel/./htmd/adaptive 2026-05-04T19:39:38,334 copying build/lib/htmd/adaptive/__init__.py -> build/bdist.linux-armv7l/wheel/./htmd/adaptive 2026-05-04T19:39:38,336 copying build/lib/htmd/metricdatagenerator.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:38,338 copying build/lib/htmd/config.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:38,340 copying build/lib/htmd/__init__.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:38,341 copying build/lib/htmd/kinetics.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:38,344 copying build/lib/htmd/versionwarnings.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:38,346 copying build/lib/htmd/home.py -> build/bdist.linux-armv7l/wheel/./htmd 2026-05-04T19:39:38,348 creating build/bdist.linux-armv7l/wheel/htmd/builder 2026-05-04T19:39:38,349 copying build/lib/htmd/builder/charmm.py -> build/bdist.linux-armv7l/wheel/./htmd/builder 2026-05-04T19:39:38,353 copying build/lib/htmd/builder/ionize.py -> build/bdist.linux-armv7l/wheel/./htmd/builder 2026-05-04T19:39:38,355 copying build/lib/htmd/builder/builder.py -> build/bdist.linux-armv7l/wheel/./htmd/builder 2026-05-04T19:39:38,357 copying build/lib/htmd/builder/solvate.py -> build/bdist.linux-armv7l/wheel/./htmd/builder 2026-05-04T19:39:38,360 copying build/lib/htmd/builder/nonstandard.py -> build/bdist.linux-armv7l/wheel/./htmd/builder 2026-05-04T19:39:38,363 copying build/lib/htmd/builder/loopmodeler.py -> build/bdist.linux-armv7l/wheel/./htmd/builder 2026-05-04T19:39:38,365 copying build/lib/htmd/builder/noncanonical.py -> build/bdist.linux-armv7l/wheel/./htmd/builder 2026-05-04T19:39:38,368 copying build/lib/htmd/builder/__init__.py -> build/bdist.linux-armv7l/wheel/./htmd/builder 2026-05-04T19:39:38,369 copying build/lib/htmd/builder/amber.py -> build/bdist.linux-armv7l/wheel/./htmd/builder 2026-05-04T19:39:38,373 running install_egg_info 2026-05-04T19:39:38,385 running egg_info 2026-05-04T19:39:38,392 writing acellera_htmd.egg-info/PKG-INFO 2026-05-04T19:39:38,396 writing dependency_links to acellera_htmd.egg-info/dependency_links.txt 2026-05-04T19:39:38,398 writing entry points to acellera_htmd.egg-info/entry_points.txt 2026-05-04T19:39:38,401 writing requirements to acellera_htmd.egg-info/requires.txt 2026-05-04T19:39:38,402 writing top-level names to acellera_htmd.egg-info/top_level.txt 2026-05-04T19:39:38,467 /tmp/pip-build-env-d_o9itub/overlay/local/lib/python3.11/dist-packages/vcs_versioning/overrides.py:609: UserWarning: No GlobalOverrides context is active. Auto-creating one with SETUPTOOLS_SCM prefix for backwards compatibility. Consider using 'with GlobalOverrides.from_env("YOUR_TOOL"):' explicitly. 2026-05-04T19:39:38,468 return get_active_overrides().subprocess_timeout 2026-05-04T19:39:38,475 listing git files failed - pretending there aren't any 2026-05-04T19:39:38,480 reading manifest file 'acellera_htmd.egg-info/SOURCES.txt' 2026-05-04T19:39:38,499 reading manifest template 'MANIFEST.in' 2026-05-04T19:39:38,517 no previously-included directories found matching 'htmd/data' 2026-05-04T19:39:38,519 no previously-included directories found matching '.github' 2026-05-04T19:39:38,520 no previously-included directories found matching 'doc' 2026-05-04T19:39:38,521 no previously-included directories found matching 'package' 2026-05-04T19:39:38,523 no previously-included directories found matching 'tests' 2026-05-04T19:39:38,524 no previously-included directories found matching 'tutorials' 2026-05-04T19:39:38,525 warning: no previously-included files found matching 'Makefile' 2026-05-04T19:39:38,526 adding license file 'LICENSE' 2026-05-04T19:39:38,548 writing manifest file 'acellera_htmd.egg-info/SOURCES.txt' 2026-05-04T19:39:38,550 Copying acellera_htmd.egg-info to build/bdist.linux-armv7l/wheel/./acellera_htmd-2.7.0-py3.11.egg-info 2026-05-04T19:39:38,562 running install_scripts 2026-05-04T19:39:38,574 creating build/bdist.linux-armv7l/wheel/acellera_htmd-2.7.0.dist-info/WHEEL 2026-05-04T19:39:38,577 creating '/tmp/pip-wheel-87pd_z5_/.tmp-hilbyyui/acellera_htmd-2.7.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-05-04T19:39:38,580 adding 'acellera_htmd-2.7.0.dist-info/licenses/LICENSE' 2026-05-04T19:39:38,583 adding 'htmd/__init__.py' 2026-05-04T19:39:38,584 adding 'htmd/config.py' 2026-05-04T19:39:38,586 adding 'htmd/decorators.py' 2026-05-04T19:39:38,587 adding 'htmd/dock.py' 2026-05-04T19:39:38,589 adding 'htmd/home.py' 2026-05-04T19:39:38,592 adding 'htmd/kinetics.py' 2026-05-04T19:39:38,593 adding 'htmd/latest.py' 2026-05-04T19:39:38,595 adding 'htmd/license.py' 2026-05-04T19:39:38,602 adding 'htmd/metricdata.py' 2026-05-04T19:39:38,604 adding 'htmd/metricdatagenerator.py' 2026-05-04T19:39:38,612 adding 'htmd/model.py' 2026-05-04T19:39:38,615 adding 'htmd/mutualinformation.py' 2026-05-04T19:39:38,616 adding 'htmd/parallelprogress.py' 2026-05-04T19:39:38,619 adding 'htmd/pathplanning.py' 2026-05-04T19:39:38,620 adding 'htmd/session.py' 2026-05-04T19:39:38,623 adding 'htmd/simlist.py' 2026-05-04T19:39:38,625 adding 'htmd/ui.py' 2026-05-04T19:39:38,626 adding 'htmd/units.py' 2026-05-04T19:39:38,628 adding 'htmd/util.py' 2026-05-04T19:39:38,629 adding 'htmd/versionwarnings.py' 2026-05-04T19:39:38,631 adding 'htmd/adaptive/__init__.py' 2026-05-04T19:39:38,634 adding 'htmd/adaptive/adaptive.py' 2026-05-04T19:39:38,637 adding 'htmd/adaptive/adaptivebandit.py' 2026-05-04T19:39:38,640 adding 'htmd/adaptive/adaptivegoal.py' 2026-05-04T19:39:38,643 adding 'htmd/adaptive/adaptivegoaleg.py' 2026-05-04T19:39:38,645 adding 'htmd/adaptive/adaptiverun.py' 2026-05-04T19:39:38,647 adding 'htmd/adaptive/util.py' 2026-05-04T19:39:38,648 adding 'htmd/builder/__init__.py' 2026-05-04T19:39:38,658 adding 'htmd/builder/amber.py' 2026-05-04T19:39:38,661 adding 'htmd/builder/builder.py' 2026-05-04T19:39:38,665 adding 'htmd/builder/charmm.py' 2026-05-04T19:39:38,668 adding 'htmd/builder/ionize.py' 2026-05-04T19:39:38,669 adding 'htmd/builder/loopmodeler.py' 2026-05-04T19:39:38,673 adding 'htmd/builder/noncanonical.py' 2026-05-04T19:39:38,681 adding 'htmd/builder/nonstandard.py' 2026-05-04T19:39:38,684 adding 'htmd/builder/solvate.py' 2026-05-04T19:39:38,685 adding 'htmd/clustering/__init__.py' 2026-05-04T19:39:38,687 adding 'htmd/clustering/kcenters.py' 2026-05-04T19:39:38,689 adding 'htmd/clustering/regular.py' 2026-05-04T19:39:38,691 adding 'htmd/membranebuilder/__init__.py' 2026-05-04T19:39:38,693 adding 'htmd/membranebuilder/build_membrane.py' 2026-05-04T19:39:38,695 adding 'htmd/membranebuilder/globalminimization.py' 2026-05-04T19:39:38,697 adding 'htmd/membranebuilder/ljfluid.py' 2026-05-04T19:39:38,698 adding 'htmd/membranebuilder/ringpenetration.py' 2026-05-04T19:39:38,700 adding 'htmd/projections/__init__.py' 2026-05-04T19:39:38,701 adding 'htmd/projections/gwpca.py' 2026-05-04T19:39:38,702 adding 'htmd/projections/kmeanstri.py' 2026-05-04T19:39:38,705 adding 'htmd/projections/metric.py' 2026-05-04T19:39:38,707 adding 'htmd/projections/tica.py' 2026-05-04T19:39:38,764 adding 'htmd/share/license-checker' 2026-05-04T19:39:38,795 adding 'htmd/share/builder/charmmlipid2amber.csv' 2026-05-04T19:39:38,798 adding 'htmd/share/builder/triala_capped.cif' 2026-05-04T19:39:38,800 adding 'htmd/share/builder/triala_capped.mmtf' 2026-05-04T19:39:38,802 adding 'htmd/share/builder/amberfiles/cofactors/ADP.frcmod' 2026-05-04T19:39:38,804 adding 'htmd/share/builder/amberfiles/cofactors/ADP.prepi' 2026-05-04T19:39:38,805 adding 'htmd/share/builder/amberfiles/cofactors/AMP.frcmod' 2026-05-04T19:39:38,807 adding 'htmd/share/builder/amberfiles/cofactors/AMP.prepi' 2026-05-04T19:39:38,808 adding 'htmd/share/builder/amberfiles/cofactors/ATP.frcmod' 2026-05-04T19:39:38,810 adding 'htmd/share/builder/amberfiles/cofactors/ATP.prepi' 2026-05-04T19:39:38,811 adding 'htmd/share/builder/amberfiles/cofactors/FMN.frcmod' 2026-05-04T19:39:38,813 adding 'htmd/share/builder/amberfiles/cofactors/FMN.prepi' 2026-05-04T19:39:38,814 adding 'htmd/share/builder/amberfiles/cofactors/GDP.frcmod' 2026-05-04T19:39:38,816 adding 'htmd/share/builder/amberfiles/cofactors/GDP.prepi' 2026-05-04T19:39:38,817 adding 'htmd/share/builder/amberfiles/cofactors/GTP.frcmod' 2026-05-04T19:39:38,819 adding 'htmd/share/builder/amberfiles/cofactors/GTP.prepi' 2026-05-04T19:39:38,820 adding 'htmd/share/builder/amberfiles/cofactors/HEM.frcmod' 2026-05-04T19:39:38,822 adding 'htmd/share/builder/amberfiles/cofactors/HEM.prepi' 2026-05-04T19:39:38,823 adding 'htmd/share/builder/amberfiles/cofactors/NAD.frcmod' 2026-05-04T19:39:38,825 adding 'htmd/share/builder/amberfiles/cofactors/NAD.prepi' 2026-05-04T19:39:38,826 adding 'htmd/share/builder/amberfiles/cofactors/NAI.frcmod' 2026-05-04T19:39:38,828 adding 'htmd/share/builder/amberfiles/cofactors/NAI.prepi' 2026-05-04T19:39:38,830 adding 'htmd/share/builder/amberfiles/cofactors/NAP.frcmod' 2026-05-04T19:39:38,832 adding 'htmd/share/builder/amberfiles/cofactors/NAP.prepi' 2026-05-04T19:39:38,833 adding 'htmd/share/builder/amberfiles/cofactors/README.txt' 2026-05-04T19:39:38,841 adding 'htmd/share/builder/amberfiles/cofactors/cofactors.in' 2026-05-04T19:39:38,846 adding 'htmd/share/builder/amberfiles/ff-ncaa/004.frcmod' 2026-05-04T19:39:38,847 adding 'htmd/share/builder/amberfiles/ff-ncaa/004.prepi' 2026-05-04T19:39:38,848 adding 'htmd/share/builder/amberfiles/ff-ncaa/03Y.frcmod' 2026-05-04T19:39:38,850 adding 'htmd/share/builder/amberfiles/ff-ncaa/03Y.prepi' 2026-05-04T19:39:38,851 adding 'htmd/share/builder/amberfiles/ff-ncaa/0A1.frcmod' 2026-05-04T19:39:38,852 adding 'htmd/share/builder/amberfiles/ff-ncaa/0A1.prepi' 2026-05-04T19:39:38,853 adding 'htmd/share/builder/amberfiles/ff-ncaa/0BN.frcmod' 2026-05-04T19:39:38,855 adding 'htmd/share/builder/amberfiles/ff-ncaa/0BN.prepi' 2026-05-04T19:39:38,856 adding 'htmd/share/builder/amberfiles/ff-ncaa/1MH.frcmod' 2026-05-04T19:39:38,858 adding 'htmd/share/builder/amberfiles/ff-ncaa/1MH.prepi' 2026-05-04T19:39:38,859 adding 'htmd/share/builder/amberfiles/ff-ncaa/2AS.frcmod' 2026-05-04T19:39:38,860 adding 'htmd/share/builder/amberfiles/ff-ncaa/2AS.prepi' 2026-05-04T19:39:38,861 adding 'htmd/share/builder/amberfiles/ff-ncaa/2GX.frcmod' 2026-05-04T19:39:38,863 adding 'htmd/share/builder/amberfiles/ff-ncaa/2GX.prepi' 2026-05-04T19:39:38,864 adding 'htmd/share/builder/amberfiles/ff-ncaa/2ML.frcmod' 2026-05-04T19:39:38,865 adding 'htmd/share/builder/amberfiles/ff-ncaa/2ML.prepi' 2026-05-04T19:39:38,867 adding 'htmd/share/builder/amberfiles/ff-ncaa/4IN.frcmod' 2026-05-04T19:39:38,868 adding 'htmd/share/builder/amberfiles/ff-ncaa/4IN.prepi' 2026-05-04T19:39:38,869 adding 'htmd/share/builder/amberfiles/ff-ncaa/4PH.frcmod' 2026-05-04T19:39:38,871 adding 'htmd/share/builder/amberfiles/ff-ncaa/4PH.prepi' 2026-05-04T19:39:38,872 adding 'htmd/share/builder/amberfiles/ff-ncaa/5JP.frcmod' 2026-05-04T19:39:38,873 adding 'htmd/share/builder/amberfiles/ff-ncaa/5JP.prepi' 2026-05-04T19:39:38,874 adding 'htmd/share/builder/amberfiles/ff-ncaa/AA4.frcmod' 2026-05-04T19:39:38,875 adding 'htmd/share/builder/amberfiles/ff-ncaa/AA4.prepi' 2026-05-04T19:39:38,876 adding 'htmd/share/builder/amberfiles/ff-ncaa/ABA.frcmod' 2026-05-04T19:39:38,877 adding 'htmd/share/builder/amberfiles/ff-ncaa/ABA.prepi' 2026-05-04T19:39:38,879 adding 'htmd/share/builder/amberfiles/ff-ncaa/AHP.frcmod' 2026-05-04T19:39:38,880 adding 'htmd/share/builder/amberfiles/ff-ncaa/AHP.prepi' 2026-05-04T19:39:38,881 adding 'htmd/share/builder/amberfiles/ff-ncaa/ALC.frcmod' 2026-05-04T19:39:38,882 adding 'htmd/share/builder/amberfiles/ff-ncaa/ALC.prepi' 2026-05-04T19:39:38,883 adding 'htmd/share/builder/amberfiles/ff-ncaa/ALN.frcmod' 2026-05-04T19:39:38,885 adding 'htmd/share/builder/amberfiles/ff-ncaa/ALN.prepi' 2026-05-04T19:39:38,886 adding 'htmd/share/builder/amberfiles/ff-ncaa/APD.frcmod' 2026-05-04T19:39:38,887 adding 'htmd/share/builder/amberfiles/ff-ncaa/APD.prepi' 2026-05-04T19:39:38,888 adding 'htmd/share/builder/amberfiles/ff-ncaa/BB8.frcmod' 2026-05-04T19:39:38,890 adding 'htmd/share/builder/amberfiles/ff-ncaa/BB8.prepi' 2026-05-04T19:39:38,891 adding 'htmd/share/builder/amberfiles/ff-ncaa/BCS.frcmod' 2026-05-04T19:39:38,892 adding 'htmd/share/builder/amberfiles/ff-ncaa/BCS.prepi' 2026-05-04T19:39:38,894 adding 'htmd/share/builder/amberfiles/ff-ncaa/CCS.frcmod' 2026-05-04T19:39:38,895 adding 'htmd/share/builder/amberfiles/ff-ncaa/CCS.prepi' 2026-05-04T19:39:38,896 adding 'htmd/share/builder/amberfiles/ff-ncaa/CSA.frcmod' 2026-05-04T19:39:38,898 adding 'htmd/share/builder/amberfiles/ff-ncaa/CSA.prepi' 2026-05-04T19:39:38,899 adding 'htmd/share/builder/amberfiles/ff-ncaa/D4P.frcmod' 2026-05-04T19:39:38,900 adding 'htmd/share/builder/amberfiles/ff-ncaa/D4P.prepi' 2026-05-04T19:39:38,901 adding 'htmd/share/builder/amberfiles/ff-ncaa/DAB.frcmod' 2026-05-04T19:39:38,903 adding 'htmd/share/builder/amberfiles/ff-ncaa/DAB.prepi' 2026-05-04T19:39:38,904 adding 'htmd/share/builder/amberfiles/ff-ncaa/DPP.frcmod' 2026-05-04T19:39:38,905 adding 'htmd/share/builder/amberfiles/ff-ncaa/DPP.prepi' 2026-05-04T19:39:38,906 adding 'htmd/share/builder/amberfiles/ff-ncaa/ESC.frcmod' 2026-05-04T19:39:38,908 adding 'htmd/share/builder/amberfiles/ff-ncaa/ESC.prepi' 2026-05-04T19:39:38,909 adding 'htmd/share/builder/amberfiles/ff-ncaa/FGL.frcmod' 2026-05-04T19:39:38,910 adding 'htmd/share/builder/amberfiles/ff-ncaa/FGL.prepi' 2026-05-04T19:39:38,912 adding 'htmd/share/builder/amberfiles/ff-ncaa/GHG.frcmod' 2026-05-04T19:39:38,913 adding 'htmd/share/builder/amberfiles/ff-ncaa/GHG.prepi' 2026-05-04T19:39:38,914 adding 'htmd/share/builder/amberfiles/ff-ncaa/GME.frcmod' 2026-05-04T19:39:38,916 adding 'htmd/share/builder/amberfiles/ff-ncaa/GME.prepi' 2026-05-04T19:39:38,917 adding 'htmd/share/builder/amberfiles/ff-ncaa/GNC.frcmod' 2026-05-04T19:39:38,918 adding 'htmd/share/builder/amberfiles/ff-ncaa/GNC.prepi' 2026-05-04T19:39:38,919 adding 'htmd/share/builder/amberfiles/ff-ncaa/HHK.frcmod' 2026-05-04T19:39:38,921 adding 'htmd/share/builder/amberfiles/ff-ncaa/HHK.prepi' 2026-05-04T19:39:38,922 adding 'htmd/share/builder/amberfiles/ff-ncaa/HLU.frcmod' 2026-05-04T19:39:38,923 adding 'htmd/share/builder/amberfiles/ff-ncaa/HLU.prepi' 2026-05-04T19:39:38,924 adding 'htmd/share/builder/amberfiles/ff-ncaa/HLX.frcmod' 2026-05-04T19:39:38,926 adding 'htmd/share/builder/amberfiles/ff-ncaa/HLX.prepi' 2026-05-04T19:39:38,927 adding 'htmd/share/builder/amberfiles/ff-ncaa/HOX.frcmod' 2026-05-04T19:39:38,928 adding 'htmd/share/builder/amberfiles/ff-ncaa/HOX.prepi' 2026-05-04T19:39:38,930 adding 'htmd/share/builder/amberfiles/ff-ncaa/HPE.frcmod' 2026-05-04T19:39:38,931 adding 'htmd/share/builder/amberfiles/ff-ncaa/HPE.prepi' 2026-05-04T19:39:38,932 adding 'htmd/share/builder/amberfiles/ff-ncaa/HQA.frcmod' 2026-05-04T19:39:38,934 adding 'htmd/share/builder/amberfiles/ff-ncaa/HQA.prepi' 2026-05-04T19:39:38,935 adding 'htmd/share/builder/amberfiles/ff-ncaa/HTR.frcmod' 2026-05-04T19:39:38,936 adding 'htmd/share/builder/amberfiles/ff-ncaa/HTR.prepi' 2026-05-04T19:39:38,937 adding 'htmd/share/builder/amberfiles/ff-ncaa/I2M.frcmod' 2026-05-04T19:39:38,939 adding 'htmd/share/builder/amberfiles/ff-ncaa/I2M.prepi' 2026-05-04T19:39:38,940 adding 'htmd/share/builder/amberfiles/ff-ncaa/IGL.frcmod' 2026-05-04T19:39:38,941 adding 'htmd/share/builder/amberfiles/ff-ncaa/IGL.prepi' 2026-05-04T19:39:38,942 adding 'htmd/share/builder/amberfiles/ff-ncaa/IIL.frcmod' 2026-05-04T19:39:38,944 adding 'htmd/share/builder/amberfiles/ff-ncaa/IIL.prepi' 2026-05-04T19:39:38,945 adding 'htmd/share/builder/amberfiles/ff-ncaa/IML.frcmod' 2026-05-04T19:39:38,946 adding 'htmd/share/builder/amberfiles/ff-ncaa/IML.prepi' 2026-05-04T19:39:38,947 adding 'htmd/share/builder/amberfiles/ff-ncaa/KYN.frcmod' 2026-05-04T19:39:38,949 adding 'htmd/share/builder/amberfiles/ff-ncaa/KYN.prepi' 2026-05-04T19:39:38,950 adding 'htmd/share/builder/amberfiles/ff-ncaa/LME.frcmod' 2026-05-04T19:39:38,951 adding 'htmd/share/builder/amberfiles/ff-ncaa/LME.prepi' 2026-05-04T19:39:38,953 adding 'htmd/share/builder/amberfiles/ff-ncaa/LMQ.frcmod' 2026-05-04T19:39:38,954 adding 'htmd/share/builder/amberfiles/ff-ncaa/LMQ.prepi' 2026-05-04T19:39:38,955 adding 'htmd/share/builder/amberfiles/ff-ncaa/ME0.frcmod' 2026-05-04T19:39:38,956 adding 'htmd/share/builder/amberfiles/ff-ncaa/ME0.prepi' 2026-05-04T19:39:38,958 adding 'htmd/share/builder/amberfiles/ff-ncaa/MEA.frcmod' 2026-05-04T19:39:38,959 adding 'htmd/share/builder/amberfiles/ff-ncaa/MEA.prepi' 2026-05-04T19:39:38,960 adding 'htmd/share/builder/amberfiles/ff-ncaa/MEN.frcmod' 2026-05-04T19:39:38,962 adding 'htmd/share/builder/amberfiles/ff-ncaa/MEN.prepi' 2026-05-04T19:39:38,963 adding 'htmd/share/builder/amberfiles/ff-ncaa/MEQ.frcmod' 2026-05-04T19:39:38,964 adding 'htmd/share/builder/amberfiles/ff-ncaa/MEQ.prepi' 2026-05-04T19:39:38,965 adding 'htmd/share/builder/amberfiles/ff-ncaa/MLE.frcmod' 2026-05-04T19:39:38,967 adding 'htmd/share/builder/amberfiles/ff-ncaa/MLE.prepi' 2026-05-04T19:39:38,968 adding 'htmd/share/builder/amberfiles/ff-ncaa/MLZ.frcmod' 2026-05-04T19:39:38,969 adding 'htmd/share/builder/amberfiles/ff-ncaa/MLZ.prepi' 2026-05-04T19:39:38,970 adding 'htmd/share/builder/amberfiles/ff-ncaa/MME.frcmod' 2026-05-04T19:39:38,972 adding 'htmd/share/builder/amberfiles/ff-ncaa/MME.prepi' 2026-05-04T19:39:38,973 adding 'htmd/share/builder/amberfiles/ff-ncaa/MMO.frcmod' 2026-05-04T19:39:38,974 adding 'htmd/share/builder/amberfiles/ff-ncaa/MMO.prepi' 2026-05-04T19:39:38,976 adding 'htmd/share/builder/amberfiles/ff-ncaa/MVA.frcmod' 2026-05-04T19:39:38,977 adding 'htmd/share/builder/amberfiles/ff-ncaa/MVA.prepi' 2026-05-04T19:39:38,978 adding 'htmd/share/builder/amberfiles/ff-ncaa/NAL.frcmod' 2026-05-04T19:39:38,980 adding 'htmd/share/builder/amberfiles/ff-ncaa/NAL.prepi' 2026-05-04T19:39:38,981 adding 'htmd/share/builder/amberfiles/ff-ncaa/NCY.frcmod' 2026-05-04T19:39:38,982 adding 'htmd/share/builder/amberfiles/ff-ncaa/NCY.prepi' 2026-05-04T19:39:38,983 adding 'htmd/share/builder/amberfiles/ff-ncaa/NLE.frcmod' 2026-05-04T19:39:38,985 adding 'htmd/share/builder/amberfiles/ff-ncaa/NLE.prepi' 2026-05-04T19:39:38,986 adding 'htmd/share/builder/amberfiles/ff-ncaa/NVA.frcmod' 2026-05-04T19:39:38,987 adding 'htmd/share/builder/amberfiles/ff-ncaa/NVA.prepi' 2026-05-04T19:39:38,989 adding 'htmd/share/builder/amberfiles/ff-ncaa/NZC.frcmod' 2026-05-04T19:39:38,990 adding 'htmd/share/builder/amberfiles/ff-ncaa/NZC.prepi' 2026-05-04T19:39:38,992 adding 'htmd/share/builder/amberfiles/ff-ncaa/OCY.frcmod' 2026-05-04T19:39:38,993 adding 'htmd/share/builder/amberfiles/ff-ncaa/OCY.prepi' 2026-05-04T19:39:38,994 adding 'htmd/share/builder/amberfiles/ff-ncaa/OMX.frcmod' 2026-05-04T19:39:38,996 adding 'htmd/share/builder/amberfiles/ff-ncaa/OMX.prepi' 2026-05-04T19:39:38,997 adding 'htmd/share/builder/amberfiles/ff-ncaa/ONL.frcmod' 2026-05-04T19:39:38,998 adding 'htmd/share/builder/amberfiles/ff-ncaa/ONL.prepi' 2026-05-04T19:39:38,999 adding 'htmd/share/builder/amberfiles/ff-ncaa/README.txt' 2026-05-04T19:39:39,001 adding 'htmd/share/builder/amberfiles/ff-ncaa/TRO.frcmod' 2026-05-04T19:39:39,002 adding 'htmd/share/builder/amberfiles/ff-ncaa/TRO.prepi' 2026-05-04T19:39:39,003 adding 'htmd/share/builder/amberfiles/ff-ncaa/TY2.frcmod' 2026-05-04T19:39:39,005 adding 'htmd/share/builder/amberfiles/ff-ncaa/TY2.prepi' 2026-05-04T19:39:39,006 adding 'htmd/share/builder/amberfiles/ff-ncaa/TYQ.frcmod' 2026-05-04T19:39:39,007 adding 'htmd/share/builder/amberfiles/ff-ncaa/TYQ.prepi' 2026-05-04T19:39:39,008 adding 'htmd/share/builder/amberfiles/ff-ncaa/YCM.frcmod' 2026-05-04T19:39:39,012 adding 'htmd/share/builder/amberfiles/ff-ncaa/YCM.prepi' 2026-05-04T19:39:39,014 adding 'htmd/share/builder/amberfiles/ff-ncaa/YNM.frcmod' 2026-05-04T19:39:39,015 adding 'htmd/share/builder/amberfiles/ff-ncaa/YNM.prepi' 2026-05-04T19:39:39,037 adding 'htmd/share/builder/amberfiles/ff-ncaa/ffncaa.in' 2026-05-04T19:39:39,040 adding 'htmd/share/builder/amberfiles/ff-nucleic-OL15/README.txt' 2026-05-04T19:39:39,041 adding 'htmd/share/builder/amberfiles/ff-nucleic-OL15/ff-nucleic-OL15.frcmod' 2026-05-04T19:39:39,046 adding 'htmd/share/builder/amberfiles/ff-nucleic-OL15/ff-nucleic-OL15.lib' 2026-05-04T19:39:39,048 adding 'htmd/share/builder/amberfiles/ff-nucleic-OL15/leap-ff-nucleic-OL15.in' 2026-05-04T19:39:39,050 adding 'htmd/share/builder/amberfiles/ff-nucleic-OL15/leap.log' 2026-05-04T19:39:39,051 adding 'htmd/share/builder/amberfiles/ff-nucleic-OL15/leaprc.ff-nucleic-OL15' 2026-05-04T19:39:39,053 adding 'htmd/share/builder/amberfiles/ff-ptm/0AF.frcmod' 2026-05-04T19:39:39,055 adding 'htmd/share/builder/amberfiles/ff-ptm/0AF.prepi' 2026-05-04T19:39:39,056 adding 'htmd/share/builder/amberfiles/ff-ptm/2MR.frcmod' 2026-05-04T19:39:39,058 adding 'htmd/share/builder/amberfiles/ff-ptm/2MR.prepi' 2026-05-04T19:39:39,059 adding 'htmd/share/builder/amberfiles/ff-ptm/4PQ.frcmod' 2026-05-04T19:39:39,060 adding 'htmd/share/builder/amberfiles/ff-ptm/4PQ.prepi' 2026-05-04T19:39:39,062 adding 'htmd/share/builder/amberfiles/ff-ptm/ALY.frcmod' 2026-05-04T19:39:39,063 adding 'htmd/share/builder/amberfiles/ff-ptm/ALY.prepi' 2026-05-04T19:39:39,064 adding 'htmd/share/builder/amberfiles/ff-ptm/BTK.frcmod' 2026-05-04T19:39:39,066 adding 'htmd/share/builder/amberfiles/ff-ptm/BTK.prepi' 2026-05-04T19:39:39,067 adding 'htmd/share/builder/amberfiles/ff-ptm/CGU.frcmod' 2026-05-04T19:39:39,068 adding 'htmd/share/builder/amberfiles/ff-ptm/CGU.prepi' 2026-05-04T19:39:39,070 adding 'htmd/share/builder/amberfiles/ff-ptm/CSO.frcmod' 2026-05-04T19:39:39,071 adding 'htmd/share/builder/amberfiles/ff-ptm/CSO.prepi' 2026-05-04T19:39:39,072 adding 'htmd/share/builder/amberfiles/ff-ptm/CSP.frcmod' 2026-05-04T19:39:39,074 adding 'htmd/share/builder/amberfiles/ff-ptm/CSP.prepi' 2026-05-04T19:39:39,075 adding 'htmd/share/builder/amberfiles/ff-ptm/CSS.frcmod' 2026-05-04T19:39:39,076 adding 'htmd/share/builder/amberfiles/ff-ptm/CSS.prepi' 2026-05-04T19:39:39,078 adding 'htmd/share/builder/amberfiles/ff-ptm/DA2.frcmod' 2026-05-04T19:39:39,079 adding 'htmd/share/builder/amberfiles/ff-ptm/DA2.prepi' 2026-05-04T19:39:39,081 adding 'htmd/share/builder/amberfiles/ff-ptm/DAH.frcmod' 2026-05-04T19:39:39,082 adding 'htmd/share/builder/amberfiles/ff-ptm/DAH.prepi' 2026-05-04T19:39:39,083 adding 'htmd/share/builder/amberfiles/ff-ptm/HY3.frcmod' 2026-05-04T19:39:39,085 adding 'htmd/share/builder/amberfiles/ff-ptm/HY3.prepi' 2026-05-04T19:39:39,086 adding 'htmd/share/builder/amberfiles/ff-ptm/HYP.frcmod' 2026-05-04T19:39:39,087 adding 'htmd/share/builder/amberfiles/ff-ptm/HYP.prepi' 2026-05-04T19:39:39,089 adding 'htmd/share/builder/amberfiles/ff-ptm/LYZ.frcmod' 2026-05-04T19:39:39,090 adding 'htmd/share/builder/amberfiles/ff-ptm/LYZ.prepi' 2026-05-04T19:39:39,091 adding 'htmd/share/builder/amberfiles/ff-ptm/M3L.frcmod' 2026-05-04T19:39:39,092 adding 'htmd/share/builder/amberfiles/ff-ptm/M3L.prepi' 2026-05-04T19:39:39,094 adding 'htmd/share/builder/amberfiles/ff-ptm/MLY.frcmod' 2026-05-04T19:39:39,095 adding 'htmd/share/builder/amberfiles/ff-ptm/MLY.prepi' 2026-05-04T19:39:39,096 adding 'htmd/share/builder/amberfiles/ff-ptm/ORM.frcmod' 2026-05-04T19:39:39,097 adding 'htmd/share/builder/amberfiles/ff-ptm/ORM.prepi' 2026-05-04T19:39:39,098 adding 'htmd/share/builder/amberfiles/ff-ptm/P1L.frcmod' 2026-05-04T19:39:39,100 adding 'htmd/share/builder/amberfiles/ff-ptm/P1L.prepi' 2026-05-04T19:39:39,101 adding 'htmd/share/builder/amberfiles/ff-ptm/PCA.frcmod' 2026-05-04T19:39:39,102 adding 'htmd/share/builder/amberfiles/ff-ptm/PCA.prepi' 2026-05-04T19:39:39,103 adding 'htmd/share/builder/amberfiles/ff-ptm/PRK.frcmod' 2026-05-04T19:39:39,105 adding 'htmd/share/builder/amberfiles/ff-ptm/PRK.prepi' 2026-05-04T19:39:39,106 adding 'htmd/share/builder/amberfiles/ff-ptm/PTR.frcmod' 2026-05-04T19:39:39,108 adding 'htmd/share/builder/amberfiles/ff-ptm/PTR.prepi' 2026-05-04T19:39:39,109 adding 'htmd/share/builder/amberfiles/ff-ptm/README.txt' 2026-05-04T19:39:39,110 adding 'htmd/share/builder/amberfiles/ff-ptm/SEP.frcmod' 2026-05-04T19:39:39,111 adding 'htmd/share/builder/amberfiles/ff-ptm/SEP.prepi' 2026-05-04T19:39:39,112 adding 'htmd/share/builder/amberfiles/ff-ptm/TPO.frcmod' 2026-05-04T19:39:39,114 adding 'htmd/share/builder/amberfiles/ff-ptm/TPO.prepi' 2026-05-04T19:39:39,122 adding 'htmd/share/builder/amberfiles/ff-ptm/ffptm.in' 2026-05-04T19:39:39,124 adding 'htmd/share/builder/caps/ACE.cif' 2026-05-04T19:39:39,126 adding 'htmd/share/builder/caps/ACE.pdb' 2026-05-04T19:39:39,127 adding 'htmd/share/builder/caps/NHE.pdb' 2026-05-04T19:39:39,128 adding 'htmd/share/builder/caps/NME.cif' 2026-05-04T19:39:39,129 adding 'htmd/share/builder/caps/NME.pdb' 2026-05-04T19:39:39,131 adding 'htmd/share/builder/charmmfiles/Makefile' 2026-05-04T19:39:39,132 adding 'htmd/share/builder/charmmfiles/README.md' 2026-05-04T19:39:39,146 adding 'htmd/share/builder/charmmfiles/par/par_all22_prot.prm' 2026-05-04T19:39:39,161 adding 'htmd/share/builder/charmmfiles/par/par_all22star_prot.prm' 2026-05-04T19:39:39,164 adding 'htmd/share/builder/charmmfiles/par/par_all35_ethers.prm' 2026-05-04T19:39:39,179 adding 'htmd/share/builder/charmmfiles/par/par_all36_carb.prm' 2026-05-04T19:39:39,266 adding 'htmd/share/builder/charmmfiles/par/par_all36_cgenff.prm' 2026-05-04T19:39:39,276 adding 'htmd/share/builder/charmmfiles/par/par_all36_lipid.prm' 2026-05-04T19:39:39,279 adding 'htmd/share/builder/charmmfiles/par/par_all36_lipid_ljpme.prm' 2026-05-04T19:39:39,288 adding 'htmd/share/builder/charmmfiles/par/par_all36_na.prm' 2026-05-04T19:39:39,303 adding 'htmd/share/builder/charmmfiles/par/par_all36m_prot.prm' 2026-05-04T19:39:39,306 adding 'htmd/share/builder/charmmfiles/par/par_water_ions.prm' 2026-05-04T19:39:39,309 adding 'htmd/share/builder/charmmfiles/str/toppar_water_ions.str' 2026-05-04T19:39:39,385 adding 'htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_glycolipid.str' 2026-05-04T19:39:39,395 adding 'htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_glycopeptide.str' 2026-05-04T19:39:39,525 adding 'htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_imlab.str' 2026-05-04T19:39:39,552 adding 'htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_lignin.str' 2026-05-04T19:39:39,565 adding 'htmd/share/builder/charmmfiles/str/carb/toppar_all36_carb_model.str' 2026-05-04T19:39:39,569 adding 'htmd/share/builder/charmmfiles/str/cphmd/protpatch_protein_toppar36.str' 2026-05-04T19:39:39,608 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_bacterial.str' 2026-05-04T19:39:39,641 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_bacterial_ljpme.str' 2026-05-04T19:39:39,748 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cardiolipin.str' 2026-05-04T19:39:39,754 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cationpi_wyf.str' 2026-05-04T19:39:39,767 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cholesterol.str' 2026-05-04T19:39:39,774 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_cholesterol_model_1.str' 2026-05-04T19:39:39,866 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_detergent.str' 2026-05-04T19:39:39,891 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_ether.str' 2026-05-04T19:39:39,911 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_ether_ljpme.str' 2026-05-04T19:39:40,002 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_inositol.str' 2026-05-04T19:39:40,013 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_list.str' 2026-05-04T19:39:40,275 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_lps.str' 2026-05-04T19:39:40,392 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_miscellaneous.str' 2026-05-04T19:39:40,454 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_miscellaneous_ljpme.str' 2026-05-04T19:39:40,470 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_model.str' 2026-05-04T19:39:40,478 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_prot.str' 2026-05-04T19:39:40,495 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_sphingo.str' 2026-05-04T19:39:40,506 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_yeast.str' 2026-05-04T19:39:40,513 adding 'htmd/share/builder/charmmfiles/str/lipid/toppar_all36_lipid_yeast_ljpme.str' 2026-05-04T19:39:40,516 adding 'htmd/share/builder/charmmfiles/str/misc/toppar_amines.str' 2026-05-04T19:39:40,518 adding 'htmd/share/builder/charmmfiles/str/misc/toppar_cgenff_misc.str' 2026-05-04T19:39:40,519 adding 'htmd/share/builder/charmmfiles/str/misc/toppar_dum_noble_gases.str' 2026-05-04T19:39:40,521 adding 'htmd/share/builder/charmmfiles/str/misc/toppar_hbond.str' 2026-05-04T19:39:40,523 adding 'htmd/share/builder/charmmfiles/str/misc/toppar_ions_won.str' 2026-05-04T19:39:40,536 adding 'htmd/share/builder/charmmfiles/str/na/toppar_all36_na_model.str' 2026-05-04T19:39:40,563 adding 'htmd/share/builder/charmmfiles/str/na/toppar_all36_na_modifications.str' 2026-05-04T19:39:40,583 adding 'htmd/share/builder/charmmfiles/str/na/toppar_all36_na_nad_ppi.str' 2026-05-04T19:39:40,589 adding 'htmd/share/builder/charmmfiles/str/na/toppar_all36_na_reactive_rna.str' 2026-05-04T19:39:40,718 adding 'htmd/share/builder/charmmfiles/str/na/toppar_all36_na_rna_modified.str' 2026-05-04T19:39:40,855 adding 'htmd/share/builder/charmmfiles/str/na/toppar_all36_na_rna_modified_for_new_psf_gen_code_2022.str' 2026-05-04T19:39:40,865 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_aldehydes.str' 2026-05-04T19:39:40,867 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_arg0.str' 2026-05-04T19:39:40,880 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_c36m_d_aminoacids.str' 2026-05-04T19:39:40,904 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_cofactors.str' 2026-05-04T19:39:40,908 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_fluoro_alkanes.str' 2026-05-04T19:39:40,911 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_heme.str' 2026-05-04T19:39:40,914 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_heme_for_new_psf_gen_code_2022.str' 2026-05-04T19:39:40,924 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_model.str' 2026-05-04T19:39:41,122 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_modify_res.str' 2026-05-04T19:39:41,143 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_na_combined.str' 2026-05-04T19:39:41,148 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_pyridines.str' 2026-05-04T19:39:41,157 adding 'htmd/share/builder/charmmfiles/str/prot/toppar_all36_prot_retinol.str' 2026-05-04T19:39:41,167 adding 'htmd/share/builder/charmmfiles/top/top_all22_prot.rtf' 2026-05-04T19:39:41,176 adding 'htmd/share/builder/charmmfiles/top/top_all22star_prot.rtf' 2026-05-04T19:39:41,183 adding 'htmd/share/builder/charmmfiles/top/top_all35_ethers.rtf' 2026-05-04T19:39:41,209 adding 'htmd/share/builder/charmmfiles/top/top_all36_carb.rtf' 2026-05-04T19:39:41,512 adding 'htmd/share/builder/charmmfiles/top/top_all36_cgenff.rtf' 2026-05-04T19:39:41,590 adding 'htmd/share/builder/charmmfiles/top/top_all36_lipid.rtf' 2026-05-04T19:39:41,640 adding 'htmd/share/builder/charmmfiles/top/top_all36_lipid_ljpme.rtf' 2026-05-04T19:39:41,648 adding 'htmd/share/builder/charmmfiles/top/top_all36_na.rtf' 2026-05-04T19:39:41,657 adding 'htmd/share/builder/charmmfiles/top/top_all36_prot.rtf' 2026-05-04T19:39:41,659 adding 'htmd/share/builder/charmmfiles/top/top_water_ions.rtf' 2026-05-04T19:39:41,661 adding 'htmd/share/membranebuilder/lipids/lipiddb.csv' 2026-05-04T19:39:41,663 adding 'htmd/share/membranebuilder/lipids/chl1/chl1.pdb' 2026-05-04T19:39:41,666 adding 'htmd/share/membranebuilder/lipids/popc/popc.pdb' 2026-05-04T19:39:41,669 adding 'htmd/share/membranebuilder/lipids/pope/pope.pdb' 2026-05-04T19:39:41,959 adding 'htmd/share/solvate/wat.pdb' 2026-05-04T19:39:41,974 adding 'acellera_htmd-2.7.0.dist-info/METADATA' 2026-05-04T19:39:41,975 adding 'acellera_htmd-2.7.0.dist-info/WHEEL' 2026-05-04T19:39:41,976 adding 'acellera_htmd-2.7.0.dist-info/entry_points.txt' 2026-05-04T19:39:41,977 adding 'acellera_htmd-2.7.0.dist-info/top_level.txt' 2026-05-04T19:39:41,983 adding 'acellera_htmd-2.7.0.dist-info/RECORD' 2026-05-04T19:39:42,050 removing build/bdist.linux-armv7l/wheel 2026-05-04T19:39:42,251 Building wheel for acellera-htmd (pyproject.toml): finished with status 'done' 2026-05-04T19:39:42,343 Created wheel for acellera-htmd: filename=acellera_htmd-2.7.0-py3-none-any.whl size=4285741 sha256=404da5fc40b9411322f14455aebe19e3e684401fd2608a4fcf08b1f88762f2db 2026-05-04T19:39:42,344 Stored in directory: /tmp/pip-ephem-wheel-cache-4_awmz1_/wheels/20/29/25/3435be30897b9e7c671f7abc6812d058c405388c5cea346044 2026-05-04T19:39:42,367 Successfully built acellera-htmd 2026-05-04T19:39:42,477 Removed build tracker: '/tmp/pip-build-tracker-yi37gfht'