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" <[email protected]> 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 >> > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to [email protected]. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
