Re: [AMBER] How to solve the unfilled valence problem in antechamber

From: David Case <david.case.rutgers.edu>
Date: Fri, 16 Jun 2017 10:54:59 -0400

On Fri, Jun 16, 2017, Ashish Radadiya wrote:
>
> I understand about your concern and I agree that this looks unusual and
> supposed to be carbon (7) not having valency of 5. and thats why after
> converting this mol2 into ac file, I manually edited bond orders. I
> suggest you to look into 'isg_singleDouble.ac'

I understood you to say that everything worked fine after you did that.
Those .ac files worked fine for me. So I'm thinking (at least for now)
that you have solved the problem.

....dac


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Received on Fri Jun 16 2017 - 08:00:04 PDT
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