AMBER Archive (2009)
Subject: Re: [AMBER] Re: COOH troubling
From: Jio M (jiomm_at_yahoo.com)
Dear Dr. Dean and J. Wang;
>Either get rid of the double bond and add a negative charge to make a
phenolate ion, or make a C-O-H by adding a hydrogen to the oxygen to make a
phenolic group, like you have on the opposite side of your anthracene ring
I am sending link which shows my structure.
But I have used RESP charges. There some other charge method is used. I think it is C double bond O.
thanks and regards;