Open Force Field Initiative

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Published February 27, 2023 | Version 2023.02.1
Software Open

openforcefield/openff-forcefields: Version 2023.02.1 Initial Water Model Ports

Creators

  • 1. @openforcefield
  • 2. Open Molecular Software Foundation
  • 3. Datryllic LLC

Description

This release adds our initial attempt at porting TIP3P and TIP3P-FB water models with Juong-Cheatham ion parameters. See docs/water-models.md for more information, and thescripts/ directory for the code to regenerate the force field files.

Files

openforcefield/openff-forcefields-2023.02.1.zip

Files (361.9 kB)

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Additional details

Related works

Is supplement to
https://github.com/openforcefield/openff-forcefields/tree/2023.02.1 (URL)