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Supported Applications

OpenMM

  • 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.

  • Usage

    To list all executables provided by OpenMM, run: $ sbgrid-list openmm Copy to clipboard

  • Usage Notes

    CUDA 9.0 is required for GPU functionality. This is included at SBGrid sites, but may need to be added for ad-hoc client installations.

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install openmm Copy to clipboard Available operating systems: Linux 64, OS X INTEL

  • Primary Citation*

    P. E. G. P. P. R. A. A. E. F. G. G. M. H. H. H. K. M. A. M. S. P. P. R. R.-G. C. S. S. S. T. W. Z. D. C. D. F. &. T. E. Markland. 2023. OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The Journal of Physical Chemistry B. ACS Publications. 128(1).


    • *Full citation information available through

  • Webinars

    OpenMM

    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:  8.3.0 (921.0 MB)
    OS X INTEL:  8.3.0 (352.0 MB)

  • Other Versions

      Linux 64:

      7.5.1 (1.3 GB) , 7.7.0 (2.3 GB) , 8.0.0 (2.4 GB)

    • OS X INTEL:

      7.5.1 (302.0 MB) , 7.7.0 (278.4 MB) , 8.0.0 (297.3 MB)

  • Developers

    Jason Swails, John Chodera, Peter Eastman, Robert McGibbon, Thomas Markland

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