Hi Justin, My original intention was to lessen the 5 ns trajectory to transfer to another drive. I did
trjconv -f traj.trr -o traj_1.trr -b 0 -e 4000 When I saw the resulting file greatly lessened in size, that's when I tried as a test trjconv -f traj.trr -o traj_1.trr I knew that it was not supposed to do anything, hence my surprise upon seeing the file size decrease by ~25%. No other flags were used. I'll do your suggestion in 2 days. Am out of the lab till then. Thanks Gil Claudio On Oct 15, 2012, at 7:55 PM, Justin Lemkul <[email protected]> wrote: > > > On 10/15/12 7:50 AM, Gil Claudio wrote: >> Hi Peter, >> >> Same machine, all single precision. >> > > Run gmxcheck -f -f2 on the two trajectories to see what's going on. Can you > explain what you were trying to do? I see no point in the trjconv command > you ran. Were there other flags that you haven't shown? Other commands that > produced strange results that led you to simplify the trjconv command down to > something that (in theory) doesn't do anything? > > -Justin > >> On Oct 15, 2012, at 5:39 PM, "Peter C. Lai" <[email protected]> wrote: >> >>> Was traj.trr output by the same machine/mdrun as the machine you are running >>> trjconv on? >>> >>> Is traj.trr (or the mdrun that wrote it) double precision and trjconv is >>> compiled float (single precision)? >>> >>> On 2012-10-15 02:31:00AM -0700, Gil Claudio wrote: >>>> Hi all, >>>> >>>> When I do the following command >>>> >>>> trjconv -f traj.trr -o traj_1.trr >>>> >>>> the file size of traj_1.trr is around 25% smaller than traj.trr. >>>> >>>> Does traj_1.trr contain less data than traj.trr? >>>> >>>> Thanks >>>> >>>> Gil >>>> -- >>>> gmx-users mailing list [email protected] >>>> 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 [email protected]. >>>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>> >>> -- >>> ================================================================== >>> Peter C. Lai | University of Alabama-Birmingham >>> Programmer/Analyst | KAUL 752A >>> Genetics, Div. of Research | 705 South 20th Street >>> [email protected] | Birmingham AL 35294-4461 >>> (205) 690-0808 | >>> ================================================================== >>> > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
