AMBER Archive (2008)

Subject: AMBER: Is G_disp calculated in MM_PBSA now?

From: cgji (cgji_at_itcc.nju.edu.cn)
Date: Sat Aug 09 2008 - 07:51:55 CDT

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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