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dwhswensonCopilot
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Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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‎openpathsampling/engines/openmm/engine.py‎

Lines changed: 2 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -330,15 +330,12 @@ def initialize(self, platform=None, openmm_properties=None):
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}
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if effective_platform is None:
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if not effective_properties:
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openmm_props = None
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else:
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openmm_props = effective_properties
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if effective_properties:
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raise ValueError(
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"OpenMM platform-specific properties were provided, "
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"but no platform was specified."
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)
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simulation_kwargs['platformProperties'] = openmm_props
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simulation_kwargs['platformProperties'] = None
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else:
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if isinstance(effective_platform, str):
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resolved_platform = openmm.Platform.getPlatformByName(

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