Published July 5, 2023 | Version 1.0
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TUK-FFDat - Data scheme and data format for transferable force fields for molecular simulation

Authors/Creators

  • 1. Laboratory of Engineering Thermodynamics (LTD), RPTU Kaiserslautern

Description

Online repository to suplement the following publication:

G. Kanagalingam, S. Schmitt, F. Fleckenstein, S. Stephan: Data scheme and data format for transferable force fields for molecular simulation, Scientific Data, accepted (2023).

Files

ConversionTools.zip

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Additional details

Related works

Is supplement to
Journal: 10.1038/s41597-023-02369-8 (DOI)