[gmx-users] g_cluster warning

[Mark Abraham]

Hi,

I don't know. I don't know how to trigger it, and nobody has said how they
triggered it :-)

Mark
On May 14, 2013 4:45 PM, "Preeti Choudhary" <
preetichoudhary18111989 at gmail.com> wrote:

> 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)!
> >
> > 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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