Software - 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.

Website

https://openmm.org/

Variants installed

1. openmm 8.1.1

   • Compiler: gcc =13.2.0
   • Architecture: zen2

   Spack Command

   $ spack load openmm/qaphmbp