openforcefield/openforcefields: Version 1.0.0 "Parsley"
- Qiu, Yudong
- Smith, Daniel G.A.
- Boothroyd, Simon
- Wagner, Jeffrey
- Bannan, Caitlin C.
- Gokey, Trevor
- Jang, Hyesu
- Lim, Victoria T.
- Lucas, Xavier
- Tjanaka, Bryon
- Shirts, Michael R.
- Gilson, Michael K.
- Chodera, John D.
- Bayly, Christopher I.
- Mobley, David L.
- Wang, Lee-Ping
Publication date
October 2019
DOIAbstract
The new force field files in this release are adapted from result.offxml in release_1.0.0_RC2.tar.gz from the Assets of OpenFF "parsley" 1.0.0-RC2: Fitting Valence with QM Data A blog post summarizing the benchmarking of this FF will be published in the near future at https://openforcefield.org/news
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