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.
Version:
2016.3
Support Contact:
Hosting Resource:
Science Gateway:
Declared Status:
production
User Documentation URL:
Access Type:
Execution Environment
Execution Handle(s):
module:gromacs
