Thank you very much *Justin*. -- Rama
On Mon, Jul 15, 2013 at 8:06 AM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 7/15/13 9:02 AM, Rama Krishna Koppisetti wrote: > >> Hi, >> >> The following command I used for the snapshots but I'm getting one frame >> time 0 time 500. what are the changes I need to do in the command to get >> snapshots in equal intervals of time for ex: 250ps. My production MD >> trajectory was 15ns. >> g_trjconv -s md.tpr -f md.trr -o beta.gro -skip 1 -dt 0 -dump 0 -sep >> >> > The interval depends on how often you saved snapshots. You do not need > -dt and -dump options. You will get separate coordinate files with -sep > and the correct value of -skip will give you what you want. If you saved a > frame every 50 ps, then trjconv -skip 5 -sep will give you a frame every > 250 ps. > > > -Justin > > -- > ==============================**==================== > > Justin A. Lemkul, Ph.D. > Postdoctoral Associate > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalemkul@outerbanks.umaryland.**edu <jalem...@outerbanks.umaryland.edu> | > (410) > 706-7441 > > ==============================**==================== > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<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