GROMACS

Software Summary
Last Updated On: 

Thursday, January 25, 2018

Support Level: 
Primary Support
Software Access Level: 
Open Access
Software Categories: 
Drug Discovery
Structural Biology
Molecular Modeling and Simulation
Software Description
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 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.

Software Documentation

Software Documentation Tabs