AMBER Archive (2005)

Subject: AMBER: linit in mm-pbsa

From: Fabien Cailliez (Fabien.Cailliez_at_ibpc.fr)
Date: Fri Apr 08 2005 - 04:08:52 CDT

Dear all,

I have a question about linit variable in mm-pbsa module for PBSA
calculations.
How do I have to set this variable ?
Is there any message in the output which indicates that there is a
problem with the
number of iterations being too small ?
I guess I have only to check if the line "Iterations required :"
indicates less
than linit, but I am not sure....

Thanks for your answers,
Fabien 

-- 
__________________________________________________________________
Fabien Cailliez				Tel : 01 58 41 51 63				
Laboratoire de Biochimie Théorique	e-mail : cailliez_at_ibpc.fr
IBPC	13, rue Pierre et Marie Curie 		
75005 Paris					
__________________________________________________________________

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