[gmx-users] Regarding getting the trajectories at certain time intervals

Dilip H N cy16f01.dilip at nitk.edu.in
Mon Jul 10 06:04:45 CEST 2017

I have ran an md simulation  which has 60000 frames (30000000 / 500 ie.,
nsteps / nstxout, nsteps = 0.001 * 30000000 = 30000 ps),  and now i need to
get the trajectories, but this will be of very huge data (which gives
trajectories of interval of every 0.5 ps)...So how can i get the
trajectories from intial to final run but with interval of say 1000 ps , i
tried with the following command as :-

gmx trjconv -f md.trr -s md.tpr -o mdtrj.gro -b 0 -e 60000

but i am getting trajectories for every 0.5 ps interval, but i need it for
say 1000 ps interval.
How can i do this..??

Thank you...

With Best Regards,

Ph.D Student

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