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PR Summary:
ADOPA is molecule similar to that of L-DOPA (https://en.wikipedia.org/wiki/L-DOPA) (See image below).
The atom type for the carbon bonded to the amine group (opls_912) needed to be added to properly atom type the molecule.
Currently the following dihedral parameters are missing:
which corresponds to
C_2-CT-NT-H
andO_2-C_2-CT-NT
. I need to do some further digging to find these dihedral parameters. For this reason, along with lack of unit testing for this molecule, I am opening as a draft right now.PR Checklist