Getting started - Gmxdemo

Main Table of Contents

VERSION 4.6
Sat 19 Jan 2013


The GROMACS demo

The demo is designed to demonstrate the user-friendlyness of the GROMACS software package. The only non-friendly part is that it requires the C shell to run the script. If your shell is e.g. bash (common on Linux), first start the C shell with the command 'tcsh'. To run the demo, first move to your tutor/gmxdemo directory:

cd tutor/gmxdemo

And then start the demo script:

demo

This demo handles a complete Molecular Dynamics simulation of a peptide in water, starting from a pdb structure. You will be asked to press return a few times, and to run the trajectory viewer. Please read the instructions as you go along.

More Info

More info can be found in the flowchart (for a quick overview) and the GROMACS FAQ (Frequently asked questions).




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