[gmx-users] Concatenating trajectories

[Mark Abraham]

... and next time you might be better served by using gmx mdrun -cpi and
gmx trjconv -extend so that you have your contiguous trajectory by
construction!

Mark

On Thu., 9 Apr. 2020, 14:17 Qinghua Liao, <scorpio.liao at gmail.com> wrote:

> Hello,
>
> There is an option of -settime for gmx trjcat, with which you can set
> different starting simulation time
> for each trajectory.
>
>
> All the best,
> Qinghua
>
> On 4/9/20 1:26 PM, Pandya, Akash wrote:
> > Hi,
> >
> > I have four trajectories of the same condition (protein only) that I
> want to concatenate. I used the command below to do this:
> >
> > gmx trjcat -f Traj1.xtc Traj2.xtc Traj3.xtc Traj4xtc -o TrajFINAL.xtc
> -cat
> >
> > So this command gives me a file with all four trajectories, pasted
> together. The combined trajectory has now got four sets of the same time
> stamps. My question is how can I change the time stamps so that they appear
> in chronological order, instead of repeated time stamps?. So I would have a
> combined trajectory e.g. 20 to 200 ns.
> >
> > I hope I'm being clear about what I want to do and someone can guide me
> on achieving this.
> >
> > Best wishes,
> >
> > Akash
> >
> >
> >
> >
>
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