Published February 28, 2022
| Version 0.10.3
Software
Open
openforcefield/openff-toolkit: 0.10.3 Bugfix release
Creators
- Jeff Wagner1
- Matt Thompson
- David L. Mobley2
- John Chodera3
- Caitlin Bannan4
- Andrea Rizzi5
- trevorgokey
- David Dotson
- Jaime Rodríguez-Guerra6
- Josh A. Mitchell
- Camila
- Pavan Behara
- Christopher Bayly4
- JoshHorton
- Nathan M. Lim7
- Victoria Lim8
- Lily Wang9
- Sukanya Sasmal10
- SimonBoothroyd
- Andrew Dalke
- Iván Pulido3
- Daniel Smith11
- Josh Horton12
- Lee-Ping Wang
- readthedocs-assistant
- Yutong Zhao13
- 1. @openforcefield
- 2. University of California, Irvine
- 3. Memorial Sloan Kettering Cancer Center
- 4. OpenEye Scientific Software
- 5. @choderalab
- 6. @quansight
- 7. @MobleyLab
- 8. @implydata
- 9. @OMaraLab
- 10. UC Irvine
- 11. Entos.AI
- 12. @cole-group
- 13. Relay Tx
Description
0.10.3 Major bugfix release
This release fixes a bug where using Sage to parameterize a topology containing water would assign AM1BCC charges instead of TIP3P library charges. This bug was present in OpenFF Toolkit versions 0.10.1 and 0.10.2, and therefore did not affect the Sage fitting.
For the complete release notes, please see our documentation
For help getting the OpenFF Toolkit running, see our installation instructions.
Please report bugs, request features, or ask questions through our issue tracker.
Please note that there may still be some changes to the API prior to a stable 1.0.0 release.
Files
openforcefield/openff-toolkit-0.10.3.zip
Files
(74.9 MB)
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md5:81fada94fa5be73bb9c4caba10a53614
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Additional details
Related works
- Is supplement to
- https://github.com/openforcefield/openff-toolkit/tree/0.10.3 (URL)