Re: [AMBER] CPPTRAJ question: How to do RMS on a trajectory fragment?

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 6 Jul 2017 14:49:38 -0400

trajin your.nc start stop step

or using pytraj

traj = pt.load('your.nc', frame_indices=range(start, stop, step))
# frame_indices can be whatever 1D array too.

Hai

On Thu, Jul 6, 2017 at 2:41 PM, Jose Borreguero <borreguero.gmail.com>
wrote:

> Dear Amber users,
>
> I want to do RMS on different trajectory fragments. Right now I extract one
> fragment and save to file, then read the file as my new trajectory to
> calculate RMS. This for each fragment :(
>
> Is there a way to avoid this writing/reading? The RMS command does not seem
> to have *start* and *stop* options, like *atomicfluct *does.
>
> Best,
> .Jose
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Received on Thu Jul 06 2017 - 12:00:03 PDT
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