[AMBER] Atom-type for aromatic carbon attached by amide nitrogen

From: Yun Shi <yunshi09.gmail.com>
Date: Tue, 16 Oct 2012 12:39:15 -0700

Hi everyone,

What should be the atom type the the [1] carbon (an aromatic carbon
attached by amide nitrogen) in the picture if parm99.dat is used?

I understand similar carbon atom in PHE (the aromatic one attached by -OH)
is of atom type C (sp2 C carbonyl group), but my molecule seems different.

Thanks for any suggestion,


AMBER mailing list

(image/jpeg attachment: 111.JPG)

Received on Tue Oct 16 2012 - 13:00:03 PDT
Custom Search