[gmx-users] clustering "pdb outsiders"

Nuno R. L. Ferreira nunolf at ci.uc.pt
Mon Jun 28 16:40:38 CEST 2004

> g_cluster does not require a tpr, you can also supply a pdb file with -s.
> But do check the bux report and fix of last week by Roman Affentranger.
> The average rmsd's and the middle structures are reported incorrectly
> by g_cluster, the clustering itself is correct though.
> Berk.

Thanks by the tip Ghermes, Andrea & Berk. 
Just to stay under the mailing list, I have to use the entries MODEL # and 
ENDMDL, in order for g_cluster to be able to read a pdb trajectory file.

Best regards,

Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica 
Departamento Química
Universidade de Coimbra
"Do not worry about your difficulties in maths.
 I can assure you that mine are still greater."

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