create a topology for a drug like molecule

openforcefield / openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

http://openforcefield.org

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create a topology for a drug like molecule #1792

Closed Lili-Cao closed 6 months ago

Lili-Cao commented 6 months ago

Is your feature request related to a problem? Please describe.

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mattwthompson commented 6 months ago

It seems like #1793 captures some of what you've been running into so I'm close this as a duplicate. We can discuss issues over there