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Valdes-Tresanco-MS
gmx_MMPBSA Valdes-Tresanco-MS
63
198
gpl-3.0
9
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
gmx mmgbsa mmpbsa gromacs ambertools gmx-mmgbsa gmx-mmpbsa energy-calculations
Created 2020-09-13
2,143 commits to master branch, last one 2 months ago