Supported Applications


  • Description

    a high performance toolkit for molecular simulation that can be used either as a stand-alone application for running simulations or as a library you call from your own code.

  • Primary Citation*

    P. Eastman, M. S. Friedrichs, J. D. Chodera, R. J. Radmer, C. M. Bruns, J. P. Ku, K. A. Beauchamp, T. J. Lane, L.-P. Wang, D. Shukla, T. Tye, M. Houston, T. Stich, C. Klein, M. R. Shirts, and V. S. Pande. 2013. OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation. Journal of Chemical Theory and Computation. ACS Publications. 9(1): 461-469.

    • *Full citation information available through

  • Webinars

    Topic: OpenMM
    Speaker: Peter Eastman, Senior Software Engineer, Vijay Pande's Group, Stanford University

    Host: Jason Key
    Recorded on February 28, 2017

  • Keywords

    Analysis, Computational Chemistry

  • Default Versions

    Linux 64:  7.2.1
    OS X INTEL:  7.2.1

  • Other Available Versions

      Linux 64:

      7.1.1, 7.0.1
    • OS X INTEL:

      7.1.1, 7.0.1
  • Developers

    John Chodera, Peter Eastman, Robert McGibbon, Vijay Pande, Jason Swails.