AMBER Archive (2004)

Subject: Re: AMBER: nbflag

From: cailliez (Fabien.Cailliez_at_ibpc.fr)
Date: Fri Sep 24 2004 - 10:20:13 CDT

David A. Case a écrit:

>On Fri, Sep 24, 2004, cailliez wrote:
>
>
>>I want to use nsnb option with AMBER7.
>>As said in the manual, I put nbflag=0 in my input list.
>>But it seems that AMBER does not manage to read this data since it outputs :
>>*********************
>>namelist read: variable not in namelist
>>
>>
>
>nbflag is in the &ewald namelist, not in &cntrl. You didn't post your input;
>is it possible that you have this in the wrong place?
>
You are right. Now it works fine with nbflag in the &ewald list.
I should have read this part of the manual more carefully.

Thanks for your help,
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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