This repository contains a collection of tutorials for simulating molecular dynamics using GROMACS (GROningen MAchine for Chemical Simulations). The step-by-step instructions and explanations can be ...

It is easiest to start with the tutorial command. In the command prompt, type $ tutorial gromacs # Copies input and script files to the directory tutorial-gromacs. This will create a directory ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Atomistic molecular dynamics (MD) simulations have become an indispensable tool for ...