The most recent version of Interchange determines virtual site positions based on geometries determined by the force field, which broke some tests. I think they previously used the atomic coordinates, which might not accurately represent the force field geometries.
codecov[bot]
commented
1 year ago
Description
The most recent version of Interchange determines virtual site positions based on geometries determined by the force field, which broke some tests. I think they previously used the atomic coordinates, which might not accurately represent the force field geometries.