gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
-
Updated
May 1, 2024 - Python
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
xBFreE is a powerful and versatile tool for computing the Binding Free Energies using a variety of methods across popular Molecular Dynamics programs
Add a description, image, and links to the energy-calculations topic page so that developers can more easily learn about it.
To associate your repository with the energy-calculations topic, visit your repo's landing page and select "manage topics."