Making substitutions while using input_conformers_only flag

QChASM / Aaron

AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions.

GNU General Public License v3.0

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Closed yanfeiguan closed 6 years ago

yanfeiguan commented 6 years ago

When using input_conformers_only parameter, new substitutions on the substituent detected automatically by AARON can not be initiated.

yanfeiguan commented 6 years ago

Fixed