====== GROMACS ====== [[http://www.gromacs.org|GROMACS]] (GROningen MAchine for Chemical Simulations) is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. To determine the available versions of GROMACS installed use $ vpkg_versions gromacs =====Details by cluster===== * [[software:gromacs:caviness | Caviness]] * [[software:gromacs:darwin | DARWIN]] * [[software:gromacs:farber | Farber]] * [[software:gromacs:mills| Mills]]