theavey / gromacswrapper Goto Github PK
View Code? Open in Web Editor NEWThis project forked from becksteinlab/gromacswrapper
GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, all with the same Python code) into python scripts.
Home Page: https://gromacswrapper.readthedocs.org
License: GNU General Public License v3.0