[gmx-users] Concatenating trajectories

Pandya, Akash akash.pandya.15 at ucl.ac.uk
Thu Apr 9 13:26:07 CEST 2020


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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