Re: perturbed topology file

From: jim caldwell <caldwell_at_heimdal.compchem.ucsf.edu>
Date: Wed 22 Mar 2000 08:24:23 -0800 (PST)

Use something like this:

parm input
BIN FOR MOD4consPERTpola
    1 1 1
    1 1 1
PERTURBATION
nothing to pert
END
END




On Wed, 22 Mar 2000, Terreux Raphael wrote:

> Dear amber users,
>
> I am trying to measurated the free energy variation during a interaction
> process of two RNA loop. To use Gibbs module, i must have a perturbed
> topology files, but in my cases there are no atoms mutation. I read in
> the manual (Amber 5.0 vol 1 p 225) that is possible to create a pertubed
> topology files with no perturbed atoms. It is not very well define how
> to do this the job. May someone help me ? thank in advance for your help
>
> Regards
>
> Raphael terreux
>
> --
> -------------------------------------------------------
> TERREUX Raphael
>
> LARTIC
> Universite de Nice-Sophia Antipolis,
> Parc Valrose, F 06108, Cedex 2,
> NICE, FRANCE
>
> TEL : +33 (0)4 92 07 61 26
> FAX : +33 (0)4 92 07 61 25
> e-mail : terreux_at_chiminfo.unice.fr
> terreux_at_unice.fr
> web : http://chiminfo11.unice.fr/~terreux/index.htm
> -------------------------------------------------------
>
>
>
>


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Received on Wed Mar 22 2000 - 08:24:23 PST
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