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Based on the discussion around mosdef-hub/gmso#505, we found that some AtomTypes are missing in the oplsaa.xml in foyer. It might be nice to resolve this issue and add them if possible.
@rsdefever Pointed to a resource that might help in the process, linked here
The text was updated successfully, but these errors were encountered:
Based on the discussion around mosdef-hub/gmso#505, we found that some
AtomTypes
are missing in theoplsaa.xml
in foyer. It might be nice to resolve this issue and add them if possible.@rsdefever Pointed to a resource that might help in the process, linked here
The text was updated successfully, but these errors were encountered: