Closed ijpulidos closed 1 year ago
Since openmmtools 0.23 the online analysis interval and the checkpoint interval are now correlated. See https://github.com/choderalab/openmmtools/releases/tag/0.23.0 for more info.
Work with latest openmmtools changes
Tested locally, will test with self-hosted GPU CI when merged.
Merging #1207 (4f6f94f) into main (c99b682) will not change coverage. The diff coverage is n/a.
n/a
Description
Since openmmtools 0.23 the online analysis interval and the checkpoint interval are now correlated. See https://github.com/choderalab/openmmtools/releases/tag/0.23.0 for more info.
Motivation and context
Work with latest openmmtools changes
How has this been tested?
Tested locally, will test with self-hosted GPU CI when merged.
Change log