Hprc banner tamu.png

SW:GROMACS

From TAMU HPRC
Revision as of 16:31, 20 February 2017 by Rodriguez.dylan (talk | contribs) (GROMACS)

Jump to: navigation, search

GROMACS

GROMACS homepage

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.

Loading the Module

To see all versions of GROMACS available on Ada:

 [ netID@cluster ~]$ module spider GROMACS

To load a particular version of GROMACS on Ada (Example: 5.1.4):

 [ netID@cluster ~]$ module load GROMACS/5.1.4-foss-2016b-mt