[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.
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    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 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++



More information about the gromacs.org_gmx-users mailing list