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

From: Yun Shi <yunshi09.gmail.com>
Date: Tue, 16 Oct 2012 20:29:13 -0700

Sorry the PHE should be TYR

On Tue, Oct 16, 2012 at 12:39 PM, Yun Shi <yunshi09.gmail.com> wrote:

> 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,
>
> Yun
>
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Received on Tue Oct 16 2012 - 21:00:03 PDT
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