[gmx-users] g_cluster warning

[Mark Abraham]

We'd need a lot more info to start to understand why .tpr vs .gro
does/should affect the result (or not)!

Mark
On May 14, 2013 2:32 PM, "Sabine Reisser" <sabine.reisser at kit.edu> wrote:

> 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
>>
>
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