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Posted by
Lucy Thompson

How to resolve error on CGENFF?

I'm trying to get parameters from CGENFF for FAD molecule. It has -2 charge that lies on two O atoms. Error generated is: readmol2 warning: non-unique atoms were renamed.Now processing molecule ***** ...attype warning: carbon radical, carbocation or carbanion not supported;skipped molecule.I have also attached my molecule in mol2 format.Thank you

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