Atom typing triangular water fails

mosdef-hub / foyer

A package for atom-typing as well as applying and disseminating forcefields

https://foyer.mosdef.org

MIT License

117 stars 76 forks source link

Closed GregorySchwing closed 2 years ago

GregorySchwing commented 2 years ago

Bug summary

Build a triangular water.

foyer.exceptions.FoyerError: Found no types for atom 0 (8).

Example attached water.zip

justinGilmer commented 2 years ago

Hey @GregorySchwing can you give us some information about the versions of foyer and mbuild you used for this test case?

GregorySchwing commented 2 years ago

foyer 0.11.0 pyhd8ed1ab_0 conda-forge mbuild 0.14.2 pyhd8ed1ab_0 conda-forge

GregorySchwing commented 2 years ago

I just had to use a ringed smarts def. opc3.xml.zip