Good day to all GMX users, I have two trajectories, 0-10ns and 10-20ns. I merged both .trr file using trjcat with option -overwrite.
>trjcat -f npt.trr npt2.trr -o npt_cat.trr -overwrite Converted into .xtc and then I tried using the g_cluster tool in order to cluster the trajectories. > g_cluster -f npt_cat.xtc -s npt.gro -method gromos -cl cluster.pdb -g cluster.log -cutoff 0.15 -b 4000 I choose c-alpha for rmsd calculation I choose protein for output It appeared this following line at frame 5000. .. Reading frame 5000 time 14000.000 malloc failed I would be grateful if someone can tell me why it failed? And why does the time didnt appeared as it should? (e.g. reading frame 5000 time 10000.00, as it is written at every 2ps). Thanks in advance. Appreciate your help. Zalikha Ibrahim -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
