Software at OSC |
GROMACSIntroductionGROMACS is a versatile package to perform molecular dynamics. It is primarily designed for biochemical molecules, such as proteins and lipids, but it has also been used on non-biological systems, such as synthetic polymers. VersionSeveral versions are currently available at OSC. Look for gromacs in this list: module avail AvailabilityGROMACS is available on the Glenn Cluster. UsageTo use the GROMACS commands, first load the gromacs module into your shell environment. For example, for 4 processors on a single node: module load gromacsgrompp_d -np 4 ... mpiexec mdrun_d -np 4 -v ... Documentation |
