The National Institute for Computational Sciences

Software

gromacs

Category: Science Package-Chemistry

Description

For more information see the gromacs website

Description appeared on the gromacs website : "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, lipids and nucleic acids that have a lot 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."

Use

gromacs is available as a module.

Once the gromacs module has been loaded, its tool and libraries can be used.

Support

This package has the following support level : Supported

Available Versions

Version Available Builds
Other
5.1.4
?
5.1.2
?