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  • University of Oxford

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  1. gmx_MMPBSA gmx_MMPBSA Public

    Forked from Valdes-Tresanco-MS/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.

    Python

  2. martinize.py martinize.py Public

    Forked from xiki-tempula/martinize.py

    Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.

    Python

  3. py-MCMD py-MCMD Public

    Forked from GOMC-WSU/py-MCMD

    This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

    Python

  4. M2-cholesterol-clustering M2-cholesterol-clustering Public

    Data sharing and availability

    Python