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 ...
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 ...
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 ...