Re: [AMBER] glycine sidechain contribution in MM-GBSA decompostion

From: Carlos Simmerling <>
Date: Mon, 26 Mar 2012 21:08:33 -0400

Probably the additional C alpha hydrogen
On Mar 26, 2012 9:05 PM, "caobb0214" <> wrote:

> dear all,
> I did a per-residue decompostion with in amber9. The total
> contribution from each residue to overall delta binding free energies
> seemed to be fine. However, when I chekced the backone and sidechain
> energy decomposition for each residue I found that one glycine residue had
> a non-zero side chain contribution (about -0.1kcal). Supposedly, the
> residue of glycine has no sidechain, thus its sidechain contribution should
> be zero. Can anybody give me some hints about this inconsistency of glycine
> sidechain contribution.
> thanks
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Received on Mon Mar 26 2012 - 18:30:05 PDT
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