[gmx-users] "Specified frame doesn't exist or file not seekable" when using .xtc

[David van der Spoel]

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
>     _______________________________________________
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> 
> 
> 
> 
> -- 
> 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