Thanx Tsjerk for the reply. I checked the .trr files with gmxcheck and one of the .trr files is giving the error:
--------------------------------------------------------------------------------------------------------------------------- Checking file PRO_DAH_10_NS.part0004.trr trn version: GMX_trn_file (single precision) Reading frame 0 time 10000.000 # Atoms 135496 Reading frame 1400 time 12800.001 ------------------------------------------------------- Program gmxcheck, VERSION 4.0.5 Source code file: trnio.c, line: 66 File input/output error: Can not determine precision of trn file ---------------------------------------------------------------------------------------------------------------------------- Is there any way to recover this .trr file? Or do I need to re-run the simulation again? Any suggestion is welcome. Regards, Anirban On Fri, Dec 18, 2009 at 12:49 PM, Tsjerk Wassenaar <tsje...@gmail.com>wrote: > Hi Anirban, > > Check each trajectory with gmxcheck to see whether they are okay. > > Cheers, > > Tsjerk > > On Fri, Dec 18, 2009 at 7:32 AM, Anirban Ghosh > <reach.anirban.gh...@gmail.com> wrote: > > Hi ALL, > > > > I have 3 5 nano-seconds trajectory files (.trr) of a protein+lipid+water > > simulation. I am using trjcat to join them into a single .trr file for > > analysis and getting the following error: > > > > > ----------------------------------------------------------------------------------------------------------------------------------------------- > > Continue writing frames from PRO_10_NS.part0003.trr t=4604 ps, > > frame=2302 > > -> frame 3990 time 7980.000 ps -> frame 3910 time 7820.000 ps > > ------------------------------------------------------- > > Program trjcat, VERSION 4.0.5 > > Source code file: trnio.c, line: 66 > > > > File input/output error: > > Can not determine precision of trn file > > > ------------------------------------------------------------------------------------------------------------------------------------------------ > > > > What should I do? Any suggestion is welcome. > > > > > > Regards, > > > > Anirban > > > > > > -- > > 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 > > > > > > -- > Tsjerk A. Wassenaar, Ph.D. > > Computational Chemist > Medicinal Chemist > Neuropharmacologist > -- > 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 >
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