gmx-mmpbsa (pypi): gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy  calculations with GROMACS files
Keywords: gmx_MMPBSA|MMPBSA|MMGBSA|GROMACS|AmberTools|ambertools|energy-calculations|gmx|gmx-mmgbsa|gmx-mmpbsa|gromacs|mmgbsa|mmpbsa