Closed AH9316 closed 1 year ago
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Topic
General area which your question is related to.
Context
I am trying to run aniline pyrolysis simulation with quantum calculation and I meet an error as below:
I did not meet this issue when I run aniline pyrolysis without quantum calculation so I guess the quantum calculation may be the reason for this case. However, I run an aniline oxidation simulation with quantum calculation at the same time and it is still running now.
Question
Is that because of RMG generated an unreasonable species that rdkit cannot draw the inchi for it?