PyOpenMM is a python API that wraps the OpenMM library. OpenMM is a library that provides tools for performing GPU accelerated molecular modeling simulations.

NOTE: With the release of OpenMM 4.0, many parts of PyOpenMM have been incorporated into OpenMM so PyOpenMM downloads will no longer be maintained separately (The PyOpenMM subversion repository is still active and up-to-date, though).

See the OpenMM project for OpenMM related details: https://simtk.org/home/openmm

Python Unit System: PyOpenMM uses a python unit system to manage quantities sent to, and returned from OpenMM. See the following link for details: https://simtk.org/home/python_units

Zander and Other Utilities: The PyOpenMM download includes a number of other utilities, such as Zander (https://simtk.org/home/zander) which reads AMBER/Sander input files and uses PyOpenMM to run molecular dynamics simulations.