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Virtual sites are not currently allowed when doing HMR, however there is no documentation at the "to_openmm_system" docstring level (or elsewhere as far as I can tell). This means you have to encounter the error to know the limitation.
Description
Virtual sites are not currently allowed when doing HMR, however there is no documentation at the "to_openmm_system" docstring level (or elsewhere as far as I can tell). This means you have to encounter the error to know the limitation.
openff-interchange/openff/interchange/interop/openmm/__init__.py
Lines 183 to 187 in 57dd53a
The ask
A little bit more docstring docs here:
openff-interchange/openff/interchange/interop/openmm/__init__.py
Lines 56 to 57 in 57dd53a
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