gromacs

  • About: 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
  • Category: Molecular Biology
  • URL: http://www.gromacs.org
module (bold = default) build dependencies
gromacs/2016.3/b1 openmpi/2.0.1/b2
gromacs/5.1.4/b1 intel 2017 impi/2017

also see Using Software.