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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.

Owner
Valdes-Tresanco-MS (personal account)
Stars
Stars: 332
Forks
Forks: 88
Language
Python
License
GPL-3.0
Created
2020
Topics
gmxmmpbsammgbsagromacsambertoolsenergy-calculationsgmx-mmpbsagmx-mmgbsa
Tier
Alpha (250 to 699 ★) What this tier means
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