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gmx_MMPBSA is a new tool aid to perform end-state free energycalculations with GROMACS files.

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pypi support python DOI

Welcome to gmx_MMPBSA!

gmx_MMPBSA is a new tool aid to perform end-state free energy calculations based on AMBER's MMPBSA.py with GROMACS files.

Please see the documentation here

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