Capture NTerminal backbone parameters and exclude malformed structures

openforcefield / amber-ff-porting

Scratch space for porting amber FFs into SMIRNOFF format

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Closed j-wags closed 3 years ago

j-wags commented 3 years ago

[x] Changes the logic for taking backbone parameters to include collection of NTerminal inter-residue backbone params
[x] Rename ConvertTripeptideParameters.py to ConvertBackboneParameters.py
[x] Explicitly exclude malformed mol2 files (#28)