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Author:
Mario S. Valdes-Tresanco and Mario E. Valdes-Tresanco
License:
GPLv3
Summary:
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files
Latest version:
1.6.4
Required dependencies:
matplotlib
|
mpi4py
|
numpy
|
pandas
|
parmed
|
scipy
|
seaborn
|
tqdm
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