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. *
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