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Published 20 hours ago • verified publisher icon openforcefield

Support of virtual sites for creating an Interchange `from_openmm`

Open hannahbaumann opened this issue 5 months ago • 2 comments

Description I'm trying to create an Interchange object from an OpenMM system that contains TIP4P water and got this Error: UnsupportedImportError: A particle is a virtual site, which is not yet supported. Are there any plans to support virtual sites in the from_openmm call or would you recommend a different procedure in a case like this?

hannahbaumann avatar Sep 26 '24 08:09 hannahbaumann