# Gromacs

Gromacs

Gromacs (Groningen Machine for Chemical Simulations) is a program package to perform classical 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 lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the non-bonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.

See the module browser for JURECA and JUWELS.

• Access and Usage:

Use module spider gromacs to find all available versions and how to load them.

• Documentation:

Contact: J.Meinke