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