choderalab / perses

Experiments with expanded ensembles to explore chemical space
http://perses.readthedocs.io
MIT License
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Using default online analysis interval in GPU repex tests #1207

Closed ijpulidos closed 1 year ago

ijpulidos commented 1 year ago

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

codecov[bot] commented 1 year ago

Codecov Report

Merging #1207 (4f6f94f) into main (c99b682) will not change coverage. The diff coverage is n/a.