[gmx-users] g_cluster: fit & rmsd groups
Nuno R. L. Ferreira
nunolf at ci.uc.pt
Fri Jul 2 13:07:44 CEST 2004
On Friday 02 July 2004 12:00 pm, Nuno R. L. Ferreira wrote:
> Hi all
>
> Just to be sure about it ...
>
> It seems that g_cluster uses the same atom group for fitting and performing
> the rmsd calculations.
>
> What about if I want to fit the structures to a different group than the
> one used to calculate the rmsd's? I see a -dm flag in the command options,
> able to read a xpm file.
>
> This xpm file , could be produced by g_rmsdist?
Perhaps with g_rms -m?
>
> Best regards,
> Nuno
--
**********************************************
Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica
Departamento Química
Universidade de Coimbra
Portugal
www.biolchem.qui.uc.pt
**********************************************
"Do not worry about your difficulties in maths.
I can assure you that mine are still greater."
emc2
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