Published June 16, 2023
| Version 2023.06.0
Software
Open
openforcefield/openff-forcefields
Creators
- 1. Pharmaceutical Sciences, University of California Irvine, Irvine, CA, USA
- 2. Department of Chemistry, University of California Irvine, Irvine, CA, USA
- 3. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA
- 4. School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne NE1, 7RU, United Kingdom
- 5. Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA
- 6. Department of Chemistry, University of California Davis, Davis, CA, USA
- 7. OpenEye Scientific Software, Santa Fe, NM, USA
Description
This release adds opc-1.0.1.offxml, standardizing the use of the string "kilocalorie_per_mole". It also adds tip3p-fb-1.1.0.offxml, which fixes a unit error in the geometric constraints and adds additional ion parameters. Finally, it adds opc3-1.0.0.offxml and tip4p_fb-1.0.0.offxml.
See docs/water-models.md for more information, and the scripts/ directory for the code to regenerate the force field files.
Files
openforcefield/openff-forcefields-2023.06.0.zip
Files
(440.6 kB)
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md5:5940611ec560479b59b30c79559efd8c
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Additional details
Related works
- Is supplement to
- https://github.com/openforcefield/openff-forcefields/tree/2023.06.0 (URL)