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Repository with sample MD simulation files for calculating order parameters for small molecules in any solvent, using the solvent local structure as the base for the OPs.
This project was supported by the National Science Foundation (CBET #1855465)
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Repository with sample MD simulation files for calculating order parameters for small molecules in any solvent, using the solvent local structure as the base for the OPs. This project was supported by the National Science Foundation (CBET #1855465)