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Prepare an improved FF before the in-person meeting in May based on the proposals below.

Project leader: David Mobley

• Make a minor release in the next few weeks based on Hyesu’s new parameters + complete refit → Parsley 1.1.0. Target date 04 Mar 2020 (updated from Feb. 14)

• Make another minor release in the next few weeks based on Victoria’s identified bad parameters → Parsley 1.2.0. Target date 20 Mar 2020 (??)

• Decide which QM data to use (going back to our existing QM datasets and improving parameters instead of expanding coverage) Target date 03 Apr 2020 . Algorithm planned, see https://openforcefield.atlassian.net/l/c/wHiQgmWR

• Sage (name ??): Do a full refit of latest Parsley but with new QM data. Target date 15 Apr 2020 (??)

• Physical property feasibility study

• Sage– another refit + release based on Hyesu’s new data and Simon’s PE work

• Rosemary – WBO torsion included

• Automated bechmarking – Some set of QM data + condensed phase properties

Team members: David Mobley Lee-Ping Wang John Chodera Michael Shirts Michael Gilson Owen Madin Simon Boothroyd Hyesu Jang Jeffrey Wagner Christopher BaylyJessica Maat (Deactivated)