MD

Oxford Computational Biochemistry Molecular Dynamics Tutorial

Content

Contained here is a tutorial to get your started with the basics of Molecular Dynamics simulations.

This tutorial demonstrates the use of GROMACS to run a short simulation of a HIV-1 protease. The simulation is then analyzed using VMD, NGLView, and MDAnalysis.

Getting started

If you are doing the Oxford Computational Biochemistry course, please see the setup instructions.

Note that you will need to have already completed the setup instructions for the python tutorial.