openpathsampling/openpathsampling: openpathsampling 1.5.2
Published in Zenodo (CERN European Organization for Nuclear Research) • Aug 24, 2021
Authors:,,
Swenson, David W.H.
Jan-Hendrik Prinz
Roet, Sander
Abstract
OpenPathSampling 1.5.2 is a minor release. It includes updates to support OpenMM 7.6, as well as some small bugfixes. Bugs fixed Prevent errors in ShootingPointAnalysis with invalid (e.g., max length) trajectories (#1046) Raise FileNotFoundError if sql backend tries to read a file that does not exis...
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