gmx-MMPBSA
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install gmx-mmpbsa
Releases
| Version | Released | Bullseye Python 3.9 |
Bookworm Python 3.11 |
Files |
|---|---|---|---|---|
| 1.6.4 | 2024-11-04 | |||
| 1.6.3 | 2024-02-20 | |||
| 1.6.2 | 2023-09-14 | |||
| 1.6.1 | 2023-04-03 | |||
| 1.6.0 | 2023-02-21 | |||
| 1.5.7 | 2022-11-10 | |||
| 1.5.6 | 2022-07-06 | |||
| 1.5.5 | 2022-06-10 | |||
| 1.5.2 | 2022-03-24 | |||
| 1.5.1 | 2022-03-11 | |||
| 1.5.0.3 | 2022-02-26 | |||
| 1.5.0.2 | 2022-02-25 | |||
| 1.5.0.1 | 2022-02-22 | |||
| 1.5.0 | 2022-02-22 | |||
| 1.4.3 | 2021-05-26 | |||
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| 1.4.2 | 2021-05-02 | |||
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| 1.4.1 | 2021-04-08 | |||
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| 1.4.0 | 2021-03-22 | |||
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| 1.3.3 | 2021-03-10 | |||
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| 1.3.2 | 2021-03-01 | |||
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| 1.3.1 | 2021-02-09 | |||
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| 1.3.0 | 2021-02-08 | |||
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| 1.2.0 | 2021-01-15 | |||
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| 1.1.1 | 2020-11-18 | |||
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| 1.1.0 | 2020-11-16 | |||
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| 1.0.0 | 2020-10-31 | |||
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