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

From: Hai Nguyen <>
Date: Tue, 16 Jun 2015 15:27:44 -0400


I don't have an answer but just want to ask why is it so critical to get
the same #frame?


On Tue, Jun 16, 2015 at 3:19 PM, Juan Eiros Zamora <> wrote:

> 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
> issue?
> Thanks in advance,
> Juan
> _______________________________________________
> AMBER mailing list
AMBER mailing list
Received on Tue Jun 16 2015 - 12:30:03 PDT
Custom Search