Re: AMBER: hold atoms fixed

From: <fatima.chami.durham.ac.uk>
Date: Mon, 30 Jun 2008 14:16:09 +0100

Hi,

have you set the NTR keyword to 1 in your input file ...

fatima

Quoting Boutheina Kerkeni <b.kerkeni.ucl.ac.uk>:

>
> Hi Amber users
>
> I have performed a minimization on a system composed of two parts and
> my point was to held fixed part2 by using the group utility/
> Hold part2 fixed
> 500.0
> RES 797 9436
> END
> END
>
> But after minimization, when I visualised the correspondin pdb i find
> that all atoms in part2 has moved as well.
> Is there a more specific way to freeze residues? atoms with Amber?
> Thanks very much in advance for any help
> Regards
> Boutheina
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>


-- 
Dr. F.Chami
Science Lab.
Department of Chemistry
Durham University
South Road Durham, DH 1 4 LE
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Received on Wed Jul 02 2008 - 06:07:21 PDT
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