OpenMM¶

Description¶

A high performance toolkit for molecular simulation. Use it as a library, or as an application. We include extensive language bindings for Python, C, C++, and even Fortran. The code is open source and actively maintained on Github, licensed under MIT and LGPL. Part of the Omnia suite of tools for predictive biomolecular simulation. * OPENMM_DIR - main OPENMM variable * OPENMM_CUDA_COMPILER - CUDA Compiler

Environment Modules¶

Run module spider openmm to find out what environment modules are available for this application.

Environment Variables¶

HPC_OPENMM_DIR - installation directory
HPC_OPENMM_BIN - executable directory
HPC_OPENMM_LIB - library directory

Categories¶

chemistry, molecular_dynamics