[gmx-users] g_cluster warning

Sabine Reisser sabine.reisser at kit.edu
Tue May 14 14:32:15 CEST 2013


I'm having the same warning, would also be interested in what it means.

Additionally, I get different results if I use a tpr instead of a gro 
file in the -s option, using the same trajectory with -f. The results 
are completely different, for the gro file I get 42 while for the tpr 
file I get 2 clusters.

Does anybody know why this is the case?


On 05/10/2013 04:33 PM, Preeti Choudhary wrote:
> hello everyone
> I am trying to cluster my data using g_cluster.I simulated the whole
> protein. I did the g_cluster analysis with only certain region of the
> protein which I specified using an index file.The program runs fine and
> gives 1 cluster.My concern is the warning it gives which states that :-
> WARNING: rmsd minimum 0 is below lowest rmsd value 0.0247473
> what exactly this warning means ???
> -thanks

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