On Thu, Sep 28, 2017 at 11:27 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>
>
> 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")
>
uhm, should be traj[-500:].save("some.nc")
(which is similar to python list fancy indexing).
Hai
> 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 - 20:30:03 PDT
