Published September 26, 2020
| Version 1.0
Dataset
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Systematic evaluation of ReaxFF reactive force fields for biochemical applications
Description
The tar archive contains supporting information to accompany the publication. The data includes the ReaxFF force field files, XYZ and BGF geometry files for amino acid conformers and dipeptides, pathways of initial DNEB interpolations and full connected pathways of condensation reactions.
Files
Files
(691.7 MB)
| Name | Size | Download all |
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md5:2e432fbfdb4fb16c0dc121977e692d04
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691.7 MB | Download |