Re: [AMBER] trajout last x frames cpptraj

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 28 Sep 2017 23:27:32 -0400

On Thu, Sep 28, 2017 at 2:23 PM, Hughes, Travis <travis.hughes.mso.umt.edu>
wrote:

> Is there any built in way (without knowing how many frames are in a
> trajectory) to trajout only the last say 500 frames of a trajectory?
> for example something like this:
>
> trajin sometraj.nc 1 last 1
> trajout sometrajlast500.nc -500 last 1
>
>
> We can script something to find the length of the trajectory and then use
> that info to do this, but is there something easy and built in to cpptraj?
>
>
hi,

Just an alternative solution (while waiting for cpptraj reply): with pytraj
(Python binding to cpptraj), you can have fancy indexing like that
http://amber-md.github.io/pytraj/latest/trajectory_exercise.html#fancy-indexing

traj[:-500].save("some.nc")

Hai

Thanks,
> Travis
>
>
> Travis Hughes
> Assistant Professor
> Biomedical and Pharmaceutical Sci.
> Center for Biomolecular Structure and Dynamics
> University of Montana, Missoula
> travis.hughes.umontana.edu<mailto:travis.hughes.umontana.edu>
> (406) 243-2750
>
>
>
>
>
>
>
>
>
>
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Received on Thu Sep 28 2017 - 20:30:02 PDT
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