[gmx-users] Specified frame doesn't exist or file not seekable
David van der Spoel
spoel at xray.bmc.uu.se
Thu May 24 11:03:26 CEST 2007
Sonali wrote:
> hi everybody,
> i have run simulation with gromacs for 10,00,000 iterations and have
> obtained all the specified output .xvg files
> while comparing and analysing the potential energy .xvg fil eand rms
> .xvg file i found that thare is minimal fluctuation between the range og
> 1870 to 1925 ps now while trying to obtain an average running structure
> using the tool g_covar in between this range i am getting the following
> error,
>
> Calculating the average structure ...
> Reading frame 0 time 0.000
> -------------------------------------------------------
> Program g_covar_mpi, VERSION 3.3.1
> Source code file: trxio.c, line: 635
>
> Fatal error:
> Specified frame doesn't exist or file not seekable
> -------------------------------------------------------
>
> any suggestions would be highly appreciated.
this is a bug that has been fixed in the development version.
>
>
> ------------------------------------------------------------------------
>
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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