Hi Jared, Can you post the exact series of commands you used to come to this point, including the selections you used and what constitutes these selections if they are not standard? Please also indicate what was in the trajectory you started off with (xtc-grps).
Cheers, Tsjerk On Thu, Mar 25, 2010 at 10:31 PM, Jared James Thompson <thomp...@purdue.edu> wrote: > Greetings, > > I'm trying to use g_covar to generate a covariance matrix, followed by > g_anaeig > to analyze the data. The trajectory is a list of clusters generated by > g_cluster > in .trr format. gmxcheck seems to think that the input trajectory is fine but > the cluster trajectory gives this error when gmxcheck is used: > > Timesteps at t=9974 don't match (2, 4) > > Timesteps at t=9978 don't match (4, 2) > > for every t += 4. > > g_covar crashes when I use my trajectory, giving the message: > > WARNING: number of atoms in tpx (730) and trajectory (730) do not match > and then usually gives a segmentation fault message or a memory error. > > Help? > > best, > Jared > > > > > > > -- > Jared James Thompson > Department of Medicinal Chemistry and Molecular Pharmacology > Laboratory for Computational Drug Design and Biology > RHPH 504C > Heine Pharmacy Building > 575 Stadium Mall Drive > West Lafayette, IN 47907-2091 > -- > gmx-users mailing list gmx-us...@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group Groningen Institute for Biomolecular Research and Biotechnology University of Groningen The Netherlands -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php