[gmx-users] "Specified frame doesn't exist or file not seekable" when using .xtc
David van der Spoel
spoel at xray.bmc.uu.se
Thu Nov 1 16:29:38 CET 2007
Qiao Baofu wrote:
> Hi,
>
> I am using Gromacs 3.3.1. The .xtc file is obtained from mdrun, as
> shown in the following
it has most likely been fixed in 3.3.2
we will shortly release a 3.3.3 version though.
>
> ; OUTPUT CONTROL OPTIONS
> ; Output frequency for coords (x), velocities (v) and forces (f)
> nstxout = 0
> nstvout = 0
> nstfout = 0
> ; Checkpointing helps you continue after crashes
> nstcheckpoint = 0
> ; Output frequency for energies to log file and energy file
> nstlog = 1000
> nstenergy = 100
> ; Output frequency and precision for xtc file
> nstxtcout = 10
> xtc-precision = 1000
>
>
>
>
>
> 2007/11/1, David van der Spoel < spoel at xray.bmc.uu.se
> <mailto:spoel at xray.bmc.uu.se>>:
>
> Qiao Baofu wrote:
> > Hi, all
> >
> > When I using the .xtc file to analyse, I always meet the
> following error
> > information
> > Specified frame doesn't exist or file not seekable
> > While it works when using the .trr file. In analyzing, only the
> > coordinate is used. Therefore, I want to use .xtc file. In this
> way, it
> > runs a little faster. However, the above proble exits. What's wrong
> > with the .xtc file? and how to solve it?
> >
> gmx version please.
> > Thanks!
> >
> > --
> > Sincerely yours,
> > Dr. Baofu Qiao
> >
> >
> >
> ------------------------------------------------------------------------
> >
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>
> --
> David van der Spoel, Ph.D.
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
> spoel at xray.bmc.uu.se
> <mailto:spoel at xray.bmc.uu.se> spoel at gromacs.org
> <mailto:spoel at gromacs.org> http://folding.bmc.uu.se
> _______________________________________________
> gmx-users mailing list gmx-users at gromacs.org
> <mailto:gmx-users at gromacs.org>
> http://www.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
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> <mailto:gmx-users-request at gromacs.org>.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>
>
>
> --
> Sincerely yours,
> **********************************************
> Dr. Baofu Qiao
> Frankfurt Institute for Advanced Studies
> Johann Wolfgang Goethe University
> Ruth-Moufang Str. 1
> 60438 Frankfurt am Main, Germany
> TEL:+49-69-79847522
> **********************************************
>
>
> ------------------------------------------------------------------------
>
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--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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