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.ibpc.fr
IBPC 13, rue Pierre et Marie Curie
75005 Paris
__________________________________________________________________
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Received on Fri Sep 24 2004 - 16:53:00 PDT
