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smog-server / OpenSMOG

OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.
MIT License
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checkpoint reporters #85

Closed Whitford closed 3 months ago

Whitford commented 6 months ago

add support for this when calling run http://docs.openmm.org/development/api-python/generated/openmm.app.checkpointreporter.CheckpointReporter.html

Whitford commented 3 months ago

done. see commit 2d9b979e8a1523e0dd9f28744562b678e87ad93f