SW:GROMACS

GROMACS

Description

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. - Homepage: http://www.gromacs.org

Access

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