On Wed, Nov 09, 2011, Brian Radak wrote:
>
> - sander begins writing trajectory frames after ntwx steps, that is:
> frame1 = ntwx and frameN = nstlim for a total of N = (nstlim/ntwx) frames
> (assuming nstlim mod ntwx = 0)
> - the NCSU modules begin writing frames immediately, that is: frame1 = 0
> and frameN = (nstlim - output_freq) for the same total of N steps (assuming
> ntwx = output_freq)
Sounds like we ought to modify the NCSU stuff to print frames more like
what sander's mdcrd output does.
....dac
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Received on Thu Nov 10 2011 - 08:30:07 PST
