openforcefield/openff-forcefields
Published in Zenodo (CERN European Organization for Nuclear Research) • Jul 23, 2024
NobleIDNI4P027W791R697S781
Authors:,,
Lily Wang
Alexandra R. McIsaac
Pavan Kumar Behara
Abstract
The new force field files in this release are from 2.2.1-rc1 tag of the Sage-2.2.1 repo. This force field is applicable to druglike molecules consisting of the elements C, H, O, N, P, S, F, Cl, Br, and I, and the monoatomic ions Li+, Na+, K+, Rb+, F-, Cl-, Br-, and I-. The parameters have been co-op...
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