try trjconv to extract the structures pooja
> You can do it by using simple shell scripting > On Jul 17, 2013 12:58 AM, "Shine A" <shin...@iisertvm.ac.in> wrote: > >> Sir, >> >> Using g_cluster I clustered snapshots in md trajectory using the >> command as follows >> >> g_cluster -s sd_7.tpr -f traj7.trr -dist rmsd-distribution.xvg -o >> clusters.xpm -sz cluster-sizes.xvg -tr cluster-transitions.xpm -ntr >> cluster-transitions.xvg -clid cluster-id-over-time.xvg -cl clusters.pdb >> -cutoff 0.25 -method gromos -dt 10 >> >> Here I got clusters.pdb having central structures in each cluster. Is >> there >> any command line option available to extract all individual files from >> clusters.pdb. >> -- >> 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 >> > -- > 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 > -- 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
