Page Comparison

Objective

Derive force field parameters for proteins consistent with the OpenFF small molecule force field.

Primary Driver

Chapin Cavender

Approvers

Michael Gilson Michael Shirts

Supporting Drivers

Stakeholders (these people will be tagged in project update notifications on Slack)

Jeffrey Wagner Pavan Behara Iván Pulido Lily Wang Joshua Horton David Mobley

Project Manager

Diego Nolasco (Deactivated)

Page Owner (only this person can edit this page)

Chapin Cavender

Decision authority

Unanimity Majority of Primary Driver and all Approvers (absences are vetos), only in “Biopolymer FF call” meetings

Veto authority: Primary Driver, any Approver

Discussion/notification venue

Fortnightly “Biopolymer FF call” meetings (decision forum). NOT “FF release call” meetings.

#ff-biopolymers channel on OpenFF slack and “FF release call” meetings (notification and discussion, no major decisions allowed here. It is not assumed that meeting attendees have read the slack discussions, they must be summarized during meetings to be considered in decisions)

Meeting notes

2022 Protein FF meeting notes

Due date

2022-01-01

Key outcomes

• Extensible SMIRNOFF format for amino acid residues

• Training datasets for 20 natural amino acids

• Selection of FF model for proteins

• One or more sets of OpenFF parameters for the 20 canonical amino acids

• Identification of key benchmark systems

Status