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.
- HPC_OPENMM_DIR - installation directory
- HPC_OPENMM_LIB - library directory
- HPC_OPENMM_INC - include file directory
- OPENMM_CUDA_COMPILER - CUDA compiler path
- Validated 4/5/2018