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openforcefield / openff-evaluator

A physical property evaluation toolkit from the Open Forcefield Consortium.
https://docs.openforcefield.org/projects/evaluator
MIT License
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Use Interchange functionality to create openmm system #528

Closed aehogan closed 11 months ago

aehogan commented 1 year ago

Description

Use openff interchange to create openmm system over the openff-toolkit's create_openmm_system

Todos

Notable points that this PR has either accomplished or will accomplish.

Status

codecov[bot] commented 1 year ago

Codecov Report

Merging #528 (53be12b) into main (ce44655) will decrease coverage by 0.02%. The diff coverage is 77.77%.

Additional details and impacted files