Supported Applications
OpenMM
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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.
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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.
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Installation
Use the following command to install this title with the CLI client:$ sbgrid-cli install openmm
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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.
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*Full citation information available through
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Webinars
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Keywords
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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