gromacs

Summary

• Module Name: gromacs

• Support Level: Primary Support

• Software Access Level: Open Access

• Home Page: http://www.gromacs.org

Software Description

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins and lipids that have a variety of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.

General Linux

To load this module for use in a Linux environment, you can run the command:

module load gromacs

Depending on where you are working, there may be more than one version of gromacs available. To see which modules are available for loading you can run:

module avail gromacs