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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 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

  • Primary Citation*

    P. Eastman, J. Swails, J. D. Chodera, R. T. McGibbon, Y. Zhao, K. A. Beauchamp, L.-P. Wang, A. C. Simmonett, M. P. Harrigan, C. D. Stern, R. P. Wiewiora, B. R. Brooks, and V. S. Pande. 2017. OpenMM 7: Rapid development of high performance algorithms for molecular dynamics. PLoS Computational Biology. 13(7): e1005659.


    • *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:  7.5.1
    OS X INTEL:  7.5.1

  • Other Versions

      Linux 64:

      7.4.0, 7.3.1, 7.2.1

    • OS X INTEL:

      7.4.0, 7.3.1, 7.2.1

  • Developers

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

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