AMBER Archive (2009)
Subject: Re: [AMBER] COOH group troubling
From: Bill Ross (ross_at_cgl.ucsf.edu)
It would be great if you could quote text without having symbols like
> Atom correspond to either H(H4) or O(O5) of OH or O(O4) of C=3DO.
I'd check the charges and vdw of all the atoms involved.