[AMBER] Question of AM1-BCC

From: asdda asa <nadaafiva.gmail.com>
Date: Wed, 21 Jan 2015 11:46:36 +0800

I am performing the parameterization of a ligand using AM1-BCC. The ligand
contain nitrogen atom which was doubly bound to one carbon atom, singly
bound to other nitrogen atom, and singly bound to other carbon atom, so the
nitrogen atom has 4 valence. I noticed that the partial charge of the
nitrogen atom was -0.013400. Is this partial charge common, I supposed
previously that the charge for the nitrogen atom was about +1. I would be
grateful for any comment.


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Received on Tue Jan 20 2015 - 20:00:02 PST
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