[gmx-users] Re:: Specified frame doesn't exist or file not seekable
sudheer babu
sudheer.pbm07 at gmail.com
Sun Jun 15 18:12:14 CEST 2008
I am having the evidence that I have drawn RMSD plot for 7.25ns
simulation, in rmsd.xvg file showed the values of the time(ps),
mentioned in *trjconv command
Im pasting my .mdp file
title = dpt_prod
constraints = hbonds
integrator = md
dt = 0.002
nsteps = 500000
nstcomm = 1
;output control statements
nstxout = 100
nstlog = 100
nstenergy = 100
nstlist = 10
~
~
My idea of doing this trjconv command is by mistaken I have deleted
7thns .trr but I have that file in .xtc format, so I am trying to get
7ns file in .trr format for continue my simualation
Thanks in advance.
sudheer babu wrote:
>* Hi all,
*>* I am having 7.25ns trajectory file , I am trying to pick up
*>* 6250ps to 7250 ps trajectory file from whole trajectory by using trjconv,
*>* Command line is
*>* *trjconv -f 7.25ns.xtc -s pr.tpr -o 6.25_7.25_out.trr -b
*>* 6250 -e 7250
*>* selected " system " for getting output
*>* it showed the following error
*>* -----------------------------------------------------------------
*>* Program trjconv, VERSION 3.3.1
*>* Source code file: trxio.c, line: 635
*>*
*>* Fatal error:
*>* Specified frame doesn't exist or file not seekable
*>* -----------------------------------------------------------------------
*
>That sounds pretty specific to me. What's your evidence that the file is
>seekable and these frames exist?
>Check that your .mdp file options should have caused XTC output to be
>written in this time. Then look at a gmxdump of this .trr file.
>It's not relevant to the problem, but there's almost no value in writing
>XTC input in .trr format on output.
>* I have found few discussions in gmx-archives regarding this problem and
*>* due to BUG in source code its showing error.
*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080615/044e9854/attachment.html>
More information about the gromacs.org_gmx-users
mailing list