[gmx-users] g_cluster warning

[Sabine Reisser]

Hi,

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?

Cheers
Sabine



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