Published November 3, 2023
| Version v0.3.17
Software
Open
OpenFF Interchange
Authors/Creators
- 1. Vanderbilt University
Description
0.3.17 Improved OpenMM virtual site implementation
This release reverts some previous changes away from the use of openmm.LocalCoordinatesSite, which is the only strictly proper way to handle SMIRNOFF-style virtual sites in OpenMM.
For the complete release notes, please see the release history.
For help installing Interchange, the 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.
Other
If you use Interchange, please cite it as below.Files
openforcefield/openff-interchange-v0.3.17.zip
Files
(1.5 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:cfe129e378537d6de40d9ac71e3ef582
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1.5 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/openforcefield/openff-interchange/tree/v0.3.17 (URL)