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Title: Fix docstring MDTopology to MDTrajTopology by sroet · Pull Request #1010 · openpathsampling/openpathsampling · GitHub

Open Graph Title: Fix docstring MDTopology to MDTrajTopology by sroet · Pull Request #1010 · openpathsampling/openpathsampling

X Title: Fix docstring MDTopology to MDTrajTopology by sroet · Pull Request #1010 · openpathsampling/openpathsampling

Description: A student asked my help initializing the OpenMMEngine and I could not find the openpathsampling.engines.openmm.MDTopology. Looking at openpathsampling/engines/openmm/topology.py this is actually ca...

Open Graph Description: A student asked my help initializing the OpenMMEngine and I could not find the openpathsampling.engines.openmm.MDTopology. Looking at openpathsampling/engines/openmm/topology.py this is actually ca...

X Description: A student asked my help initializing the OpenMMEngine and I could not find the openpathsampling.engines.openmm.MDTopology. Looking at openpathsampling/engines/openmm/topology.py this is actually ca...

Opengraph URL: https://github.com/openpathsampling/openpathsampling/pull/1010

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MDTrajTopology should be moved from engines.OpenMM to engines.topology #1011 https://github.com/openpathsampling/openpathsampling/issues/1011
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