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GROMACS

GROMACS website

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with millions of particles.

Environment Modules

Run module spider GROMACS to find out what environment modules are available for this application.

System Variables

  • HPC_GROMACS_DIR - installation directory
  • HPC_GROMACS_BIN - executable directory
  • HPC_GROMACS_INC - header file directory
  • HPC_GROMACS_LIB - library directory