[gmx-users] g_cluster warning
preetichoudhary18111989 at gmail.com
Tue May 14 16:44:35 CEST 2013
should we worry about the warning ???
On Tue, May 14, 2013 at 7:19 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:
> We'd need a lot more info to start to understand why .tpr vs .gro
> does/should affect the result (or not)!
> 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
> > 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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