Software Open Access
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
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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openforcefield/openforcefields-1.0.0.zip
md5:4979aa47032ce95db496808ba50782ce |
102.9 kB | Download |
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- Publication date:
- October 12, 2019
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- Other (Open)