2021-11-11 Force Field Release meeting notes

Owned by Pavan Behara, created

Last updated: Feb 15, 2022 by Diego Nolasco (Deactivated)

1 min read

Date

Nov 11, 2021

Participants

@Pavan Behara
@Daniel Cole
@Chris Ringrose
@Willa Wang
@Michael Gilson
@David Mobley
@Jeffrey Wagner
@Simon Boothroyd
@Joshua Horton
@Christopher Bayly
@billswope
@Jeffry Setiadi
@Willa Wang
@Chapin Cavender
@Lily Wang
@John Chodera
@yuanqingwang
@paulnerenberg
@Michael Shirts

Goals

Discussion topics

Time	Item	Presenter	Notes

Time

Item

Presenter

Notes

@Chris Ringrose

Deriving force field models with various charge schemes, vsites, Lennard-Jones schemes etc with QUBEKit
(See recording)
Recording is called 2021_11_11_ff_release_call and uploaded at: https://drive.google.com/file/d/1bvWU0lYRMguHMFrRAWdCNQjaQq0CAfvh/view?usp=sharing
Link to the paper posted by Paul
https://onlinelibrary.wiley.com/doi/10.1002/jcc.23850
Couldn’t copy the chat directly (may be some zoom setting) so pasting screenshots of it

@Willa Wang

SLIDES
Electrostatics: Polarization model

Action items

Decisions