xzy@xzy> cat ./module.sh #! /bin/sh eval `/opt/modules/3.2.6.7/bin/modulecmd bash $*` xzy@xzy> ./module.sh add gromacs xzy@xzy> grompp -h If 'grompp' is not a typo you can run the following command to lookup the package that contains the binary: command-not-found grompp -bash: grompp: command not found xzy@xzy> module add gromacs xzy@xzy> grompp -h :-) G R O M A C S (-: Getting the Right Output Means no Artefacts in Calculating Stuff :-) VERSION 4.6-GPU-dev-20120501-ec56c (-: