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Published September 9, 2021 | Version v1
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OpenFF Biopolymer FF meeting: tetrapeptide torsion profiles

  • 1. Open Force Field Initiative

Description

Open Force Field protein force field meeting. Chapin Cavender presented a benchmark of OpenFF force fields against tetrapeptide torsion profiles from TorsionDrives from Dave Cerutti (slides attached). The presentation was followed by a group discussion on how to relax the coordinates of quantum mechanics (QM) energy minima using a molecular mechanics (MM) force field for a torsion profile benchmark and how to choose library charges for a protein force field. Confluence meeting notes are available here: https://openforcefield.atlassian.net/wiki/spaces/FF/pages/2110062594/2021-09-09+Meeting+notes

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2021-09-09-cerutti-td.mp4

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