Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
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Nov 25, 2024 - Python
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mosdef-hub
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OPLS parameters for perfluoroalkanes in Foyer format. Source: Watkins and Jorgensen, J. Phys. Chem. A, 105, 2001 pp 4118-4125 http://dx.doi.org/10.1021/jp004071w
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Aug 11, 2017 - Python
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