[AMBER] analysis of mm_pbsa

From: Asfa Ali <asfa.iisc.gmail.com>
Date: Wed, 4 Aug 2010 12:20:33 +0530

Hi,

I have one basic question :

Why is there a discrepancy in the energy values obtained by PB ang GB ?

e.g.

For a DNA-lig complex , I get :

PBTOT = -36.26 kcal/mol
GBTOT = -38.88 kcal/mol

Thanks in advance..
Asfa.
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Received on Wed Aug 04 2010 - 00:00:03 PDT