gmx-mmgbsa

There are 2 repositories under gmx-mmgbsa topic.

  • 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.

    Language:Python224946965

  • xBFreEnergy/xBFreE

    xBFreE is a powerful and versatile tool for computing the Binding Free Energies using a variety of methods across popular Molecular Dynamics programs

    Language:Python0201