[gmx-users] g_traj time unit

[Tegar Nurwahyu Wijaya]

Thanks for the reply.

I had a 1 ms simulation and I want g_traj to give the time in ns in the xvg
output file. Instead of give me 1000 ns in the x axis, g_traj gave 1000000
ns. I checked it with xmgrace. It seems g_traj only change the label and
did not convert the original time (ps) to ns as I wanted.
On Mar 28, 2014 4:56 PM, "X Rules" <xrules at live.com> wrote:

>
> 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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