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gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations
M. Eric Irrgang, Jennifer M. Hays, View ORCID ProfilePeter M. Kasson
doi: https://doi.org/10.1101/306043
M. Eric Irrgang
1Department of Biomedical Engineering and University of Virginia, Box 800886 Charlottesville VA 22908, USA
2Department of Molecular Physiology and Biological Physics, University of Virginia, Box 800886 Charlottesville VA 22908, USA
Jennifer M. Hays
1Department of Biomedical Engineering and University of Virginia, Box 800886 Charlottesville VA 22908, USA
2Department of Molecular Physiology and Biological Physics, University of Virginia, Box 800886 Charlottesville VA 22908, USA
Peter M. Kasson
1Department of Biomedical Engineering and University of Virginia, Box 800886 Charlottesville VA 22908, USA
2Department of Molecular Physiology and Biological Physics, University of Virginia, Box 800886 Charlottesville VA 22908, USA
Posted April 22, 2018.
gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations
M. Eric Irrgang, Jennifer M. Hays, Peter M. Kasson
bioRxiv 306043; doi: https://doi.org/10.1101/306043
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