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-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
