Valdes-Tresanco-MS/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.

PythonStars 287Forks 77Watchers 287Open issues 33License GNU General Public License v3.0
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仓库信息
OwnerValdes-Tresanco-MS
Last pushed2025-12-08
Last updated2025-12-15
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