Dear all,
I have generated an AMBER trajectory with coordinates, velocities and
forces at every time point. It is readily readable with the standard
CPPTRAJ routine.
Now, from this point on, how could I write out the relevant data sets
in some (text or binary) file readable in some straightforward way?
I would greatly appreciate ordering my corresponding output file like
as follows:
Atom-Nr Time CoordX CoordY CoordZ VelocX VelocY VelocZ
ForceX ForceY ForceZ
... ... ... ... ... ... ... ...
... ... ...
...etc., etc., etc. ...
Which set of the CPPTRAJ commands would be most appropriate for the
above-outlined case?
Respectfully yours,
Evgeni B. Starikov
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Received on Sun Aug 27 2017 - 15:00:03 PDT
