On Mon, May 5, 2014 at 1:28 PM, Soumendranath Bhakat <
bhakatsoumendranath.gmail.com> wrote:
> Cool so if I execute this then it will work like this
>
> vi cut.ptrj
>
> trajin 50ns.mdcrd <http://50ns.nc> 2 4
> trajout 2-4ns.mdcrd <http://10-12ns.nc> netcdf
>
Not quite. The numbers in the trajin statement correspond to snapshot
numbers, NOT simulation time. Look at Dan's original email, where the
numbers he uses are 10000 and 12000 to pull out frames between 10 and 12 ns
(this assumes you write out 1 frame every ps as he stated).
The "netcdf" keyword makes cpptraj print the output trajectory in the
NetCDF format, which is much faster to read and write, much smaller in
physical size, and much higher precision than the corresponding ASCII
trajectory files (basically, it is superior in every way).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon May 05 2014 - 11:30:02 PDT
