openforcefield/openff-forcefields
Published in Zenodo (CERN European Organization for Nuclear Research) • Sep 12, 2024
NobleIDNI1P39W05R68S93
Authors:,,
Lily Wang
Alexandra R. McIsaac
Pavan Kumar Behara
Abstract
This release adds openff-2.2.1.offxml and openff_unconstrained-2.2.1.offxml, Sage 2.2.1, which is identical to the Sage 2.2.1 release candidate. Compared to Sage 2.2.0, it fixes some linear angles to stay at 180 degrees. Code, environments, and data used to fit this force field can be found here. Th...
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