[gmx-users] g_traj time unit

[X Rules]

Hi,
 Is it not that g_traj asks you if you have a different time unit in your trr file. by default it is written in ps. So if you say here ns, then, it means 1000 ps. Which is why all your values are multiplied by 1000. What does your plot axis say when you open your xvg file?  What are the time units there?



> Date: Fri, 28 Mar 2014 16:27:23 +0700
> From: tnurwahyuwijaya at gmail.com
> To: gmx-users at gromacs.org
> Subject: [gmx-users] g_traj time unit
> 
> Dear GROMACS users,
> 
> I tried to extract box information from my simulation using the following
> command.
> 
> g_traj -f dopc-dppc_noW.trr -s topol.tpr -ob box_dopc-dppc.xvg -tu ns -b 0
> -e 1000
> 
> I expected to have 1000 ns as the maximum value on the x (time) axis.
> However I got 1000000 as the maximum value. Then I tried the following
> command.
> 
> g_traj -f dopc-dppc_noW.trr -s topol.tpr -ob box_dopc-dppc.xvg -tu ns -b 0
> -e 100
> 
> Here I got 100000 as the maximum value. It seems g_traj failed to convert
> the time unit from the trajectory value (ps) to ns as indicated in the
> command. However g_traj successfully recognize the end of the trajectory to
> be read exactly as I indicated in the commands above.
> 
> Is there any mistake in my commands or this is a bug of g_traj?
> 
> Thanks,
> Tegar
> -- 
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