OpenMM
Revision as of 15:30, 19 August 2022 by Israel.herrera (talk | contribs)
Description
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes.
Environment Modules
Run module spider OpenMM to find out what environment modules are available for this application.
System Variables
- HPC_OPENMM_DIR - installation directory
- HPC_OPENMM_LIB - library directory
- HPC_OPENMM_INC - include file directory
- OPENMM_CUDA_COMPILER - CUDA compiler path