[AMBER] [cpptraj] Changing frames in a trajectory file

From: Juan Eiros Zamora <j.eiros-zamora14.imperial.ac.uk>
Date: Tue, 16 Jun 2015 20:19:08 +0100

Dear Amber users,

By mistake I modified the write frequency of a production run and ended
up with a 50 ns NetCDF trajectory file that has a bigger number of
frames (4000) than what I usually use (2500).

My problem now is that I want to reduce the number of frames of that
file to match the other trajectories of the same run, but as you can see
the ratio is not an integer so I've had no luck using cpptraj, as it
does not allow me to chose an offset of 1.6 for the trajin command.

I'm wondering if there could be a way to "interpolate" structures in the
trajectory so I could get a constant timestep.

Does anyone have a suggestion or idea on how should I proceed with this

Thanks in advance,


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Received on Tue Jun 16 2015 - 12:30:02 PDT
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