GROMACS

Gromacs is a package to perform classical molecular dynamics simulations.

Installation on the clusters:

The Gromacs package can be run on any of the clusters.

The installations can be found in the following locations:

  • single precision: /uufs/chpc.utah.edu/sys/installdir/gromacs/5.0.4s-mpich2-3.1.2i
  • double precision: /uufs/chpc.utah.edu/sys/installdir/gromacs/5.0.4d-mpich2-3.1.2i

All executables are to be found in the "bin" sub directory. An example script is found in the scripts sub directory, along with the input files used to test, in the scripts/example sub directory

Info on Gromacs  

The home page for Gromacs is http://www.gromacs.org/. At this site you will find a summary of the program's capabilities along with documentation on how to use the package.