gmx-pes

A package to compare Potential Energy Surfaces in Gromacs

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install gmx-pes

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Files
0.0.1a1 pre-release 2018-07-25  

Issues with this package?

Page last updated 2025-06-27 15:30:04 UTC