[gmx-users] Concatenating trajectories

[Qinghua Liao]

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
>
>
>
>