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Top 2 ambertools open source projects

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

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python shell gromacs ambertools mmgbsa mmpbsa gmx energy-calculations gmx-mmpbsa gmx-mmgbsa

Python interface of cpptraj

✭ 106

Jupyter Notebook python cython Rebol Roff CSS visualization molecular-dynamics interactive-analysis trajectory-analysis ambermd ambertools

1-2 of 2 ambertools projects