Re: [AMBER] free energy decomposition

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 8 Aug 2011 08:17:56 -0400

On Mon, Aug 08, 2011, Sangita Kachhap wrote:
>
> I am calulating per residue free energy decomposition of protein-DNA complex.
> Result I have got having standard deviation larger than average value. For
> examplex backbone energy for GLN 78 :
>
> Residue | Location | Internal | van der Waals |
> Electrostatic | Polar Solvation | Non-Polar Solv. | TOTAL
> GLN 78 | L GLN 49 | 0.000 +/- 2.640 | -0.241 +/- 0.806 | 7.188 +/-
> 2.331 | -7.194 +/- 1.172 | 0.000 +/- 0.000 | -0.247 +/- 3.799
>
> How I should interprate this result.Will it be relaible for furter interpratation?

Why do you think this is a problem? If a result is close to zero, it is not
at all odd that its standard deviation would be greater than its average
value.

....dac


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Received on Mon Aug 08 2011 - 05:30:04 PDT
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