sudheer babu wrote:
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
That's evidence if you used the .xtc file for producing that RMSD plot
and the full system was used for the RMSD plot and there's data for
those times you wanted. The original error message from trjconv implied
that at least one of those three was not true.
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
Well hopefully there was more to it than this, but you've certainly left
off the most pertinent option... nstxtcout!
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
No, you don't have "that file in .xtc format". Whether you produced this
XTC format trajectory with mdrun, or with trjconv on mdrun's .trr, then
it contains a (possibly whole) subset of your system, with coordinates
only, and at a reduced precision. Since there are no velocities, and
only approximate coordinates, you have no chance of an
ensemble-preserving restart. You'll need to start again and take more
care of valuable output :-)
Mark
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