[AMBER] free energy decomposition

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Mon, 8 Aug 2011 13:20:25 +0530 (IST)

Hello All

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?

Anyone please suggest me.

With regards
Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH


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Received on Mon Aug 08 2011 - 01:00:03 PDT
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