Re: [gmx-users] Concatenating trajectories

2020-04-09 Thread 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, wrote: > Hello, > > There is an option of -settime for gmx trjcat, with which you can set >

Re: [gmx-users] Concatenating trajectories

2020-04-09 Thread 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.

[gmx-users] Concatenating trajectories

2020-04-09 Thread Pandya, Akash
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