[AMBER] binding free energy difference between PBTOT and GBTOT

From: xue wang <xue.qfs.gmail.com>
Date: Sun, 17 Oct 2010 10:07:39 -0400

Dear Amber Users,

I used mmpbsa.pl to calculate binding free energy. The final result gave
PBTOT =497.94 and GBTOT = 61.07. Although both of them indicate an
unfavorable binding, there is a large difference between them. Anyone has an
idea that in what cases the large difference would appear and why is that?

Thanks for your attention and help!!


Xue
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Received on Sun Oct 17 2010 - 07:30:03 PDT