A package for atom-typing as well as applying and disseminating forcefields
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Updated
Nov 14, 2024 - Python
A package for atom-typing as well as applying and disseminating forcefields
Une plateforme réaliser avec la technologie Electron + Python pour gérer le foyer (repas, cotisation, jirama, menage, ...)
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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