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

[Mark Abraham]

Hi,

Look at "gmx help trjconv" ;-) The b and e options aren't measured in
frames, and another option is available for selecting frames at different
time intervals.

Mark

On Mon, 10 Jul 2017 06:06 Dilip H N <cy16f01.dilip at nitk.edu.in> wrote:

> Hello,
> 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,
>
> DILIP.H.N
> Ph.D Student
>
>
>
> --
> With Best Regards,
>
> DILIP.H.N
> Ph.D Student
> --
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