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openforcefield/openforcefields: Version 1.2.1 "Parsley" Update

Jeff Wagner; Matt Thompson; David Dotson; hyejang; Jaime Rodríguez-Guerra

This bugfix release manually changes two bond force constants (b24 and b27) to resolve an issue seen in propyne substituents when using hydrogen mass repartitioning with a 4fs timestep. Full details are available at https://github.com/openforcefield/openforcefields/issues/19 and in the reproduce_propyne_hmr.ipynb notebook in the release assets on GitHub.

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Publication date:
September 9, 2020
DOI:
10.5281/zenodo.4021623

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Version 2.0.0 10.5281/zenodo.5214478 Aug 18, 2021
Version 2.0.0-rc.2 10.5281/zenodo.5156698 Aug 3, 2021
Version 2.0.0-rc.1 10.5281/zenodo.5009196 Jun 21, 2021
Version 1.3.1 10.5281/zenodo.5009058 Jun 21, 2021
Version 1.3.1-alpha1 10.5281/zenodo.4697390 Apr 16, 2021
...
Version 1.2.1 10.5281/zenodo.4021623 Sep 9, 2020
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