Thanks, Hay. I guess the pytraj option is a better solution, as I could
iterate over the fragments in a python loop and call trajin every time.
.Jose
On Thu, Jul 6, 2017 at 2:49 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> 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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> >
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Received on Thu Jul 06 2017 - 13:30:03 PDT
