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2020-12-07 Bespoke Fitting meeting notes (sci)

2020-12-07 Bespoke Fitting meeting notes (sci)

Owned by Joshua Horton, created
Last updated: Feb 16, 2022 by Diego Nolasco (Deactivated)
1 min read

Date

Dec 7, 2020

Participants

  • @Joshua Horton

  • @Jeffrey Wagner

  • @David Mobley

  • @Jamshed Anwar (Deactivated)

  • @Pavan Behara

  • @Jessica Maat (Deactivated)

Goals

  •  

Discussion topics

Time

Item

Presenter

Notes

Time

Item

Presenter

Notes

30 mins

Bespoke optimization update:

  • using torsion drive optimization trajectory data

  • using Gaff-2.11 to generate the validation data

  • Bespoke optimization of some other JACS series molecules.

@Joshua Horton









Action items

Decisions

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