AMBER Archive (2008)

Subject: Re: AMBER: hold atoms fixed

From: fatima.chami_at_durham.ac.uk
Date: Mon Jun 30 2008 - 08:16:09 CDT

Hi,

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

fatima

Quoting Boutheina Kerkeni <b.kerkeni_at_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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