AMBER Archive (2006)

Subject: AMBER: terms in mm-pbsa

From: Lwin, ThuZar (ThuZar.Lwin_at_stjude.org)
Date: Wed Jun 21 2006 - 10:48:37 CDT

Hello Amber Community,

     I would like to clarification on the difference between the two
terms found in mm_pbsa.in to calculate the stability free energy:

PRBRAD used in PB and PROBE used in MS (my selections are PROC=1 and
MS=1). Is PRBRAD the one being passed onto molsurf ?

 

Thanks,

ThuZar

 

       

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