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GROMACS

Introduction

GROMACS is a versatile package to perform molecular dynamics. It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but it has also been used on non-biological systems such as polymers.

Version

Version 3.2.1 is currently available at OSC.

Availability

GROMACS is available on the Intel P4 Linux Cluster, the IBM Opteron Cluster and the Intel Itanium-2 Linux Cluster.

Usage

To use the GROMACS commands, first load the gromacs module into your shell environment:

Documentation

GROMACS home page