Re: [AMBER] Energy abrupt rise in Energy minimization

From: Jiang Yusheng <yusheng0104.gmail.com>
Date: Wed, 4 Aug 2010 15:31:15 -0400

Hello Bill

The atom is not named as GMAX. MCPG is a kind of anolog of Glutamate with
charge -1.

Thanks

Jason
On Wed, Aug 4, 2010 at 3:10 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> > I used tleap to construct MCPG
>
> I deleted your first mail.. was the atom named as GMAX in mdout
> in that residue? What type is it? What charge? This may give a clue.
>
> Bill
>
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-- 
Yusheng Jason Jiang
Department of Chemistry
Georgia State University
Atlanta, 30302 GA
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Received on Wed Aug 04 2010 - 13:00:03 PDT
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