AMBER: Is G_disp calculated in MM_PBSA now?

From: cgji <cgji.itcc.nju.edu.cn>
Date: Sat, 9 Aug 2008 20:51:55 +0800

Dear Amber users,

Nonpolar solvation in MM_PBSA can be expressed as
Gnp = Gdisp + Gcavity
       = Gdisp + CAVITY_SURFTEN * SASA + CAVITY_OFFSET.

Is this term "Gdisp" calculated in Amber now ?

Thanks for your advice.....






2008-08-09



cgji

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Received on Sun Aug 10 2008 - 06:07:59 PDT