OpenMM

OpenMM is a toolkit for molecular simulation.

Note

This is an autogenerated page, more detail including examples may be available for this package. Please see the first section of Software on Stanage

After connecting to Stanage (see Establishing a SSH connection), start an interactive session:

salloc

A version of OpenMM can then be made available with one of the following:

module load OpenMM/8.1.2-foss-2023b

Notes

OpenMM was installed using Easybuild, build details can be found in $EBROOTOPENMM/easybuild with a given module loaded.

Direct dependencies for latest version of OpenMM