This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration free energies or ligand binding free energies.
This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
GROMOS++ Software for the Analysis of (Bio)molecular Simulation Trajectories
Advanced tutorial for the GROMOS software for biomolecular simulation
A gromacs tutorial for creating a gromos54A7 simulation system of a protein in a simple membrane
GROMOS Software for (Bio)molecular Simulation: md++ code
Add a description, image, and links to the gromos topic page so that developers can more easily learn about it.
To associate your repository with the gromos topic, visit your repo's landing page and select "manage topics."
