[gmx-users] trjconv warning

m-hatake at jaist.ac.jp m-hatake at jaist.ac.jp
Tue Jun 21 23:07:14 CEST 2005


Thanks for reply, Pedro.

I tried 
> trjconv -f traj.trr -s traj.tpr -o mid.pdb -dump 30000

but the result is same.
----------
Last frame        402 time 16080.001   
WARNING: Incomplete frame: nr 403 time 16120
WARNING no output, trajectory ended at 16120
----------

my simulation is running and trajectory file(traj.trr)
size is still increasing, but 'traj.trr' data cannot 
be recognized over 16000 [ps] for some reason.
I don't know why.
Other commands, g_density, g_rotacf etc., also stop
at the time 16000 [ps].

I try to check topol.top and grompp.mdp again.

Thanks.

masa
--
Masaomi Hatakeyama
Dept. of Chemical Engineering
University of California, Davis (UCDavis)
email: mhata at ucdavis.edu



From: paloureiro at biof.ufrj.br
Subject: Re: [gmx-users] trjconv warning
Date: Tue, 21 Jun 2005 18:22:06 +0000

> > Dear All,
> > 
> > I tried to do 'trjconv' as following since I want to see a snapshot of my
> > simulation.
> > 
> > > trjconv -f traj.trr -o mid.pdb -b 30000 -e 30000
> > 
> Try to use 
> 
> trjconv -f traj.trr -s traj.tpr -o mid.pdb -dump 30000
> 
> Regards.
> 
> Pedro.
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