I have generated a 2ns trajectory (nstlim=1000000,dt=0.002) for which energy & coordinate information is printed every 1000 steps (ntpr=1000, ntwx=1000).
Is there a way to post-process this trajectory in such a way as to read energy and coordinate information every 5000 steps (ntpr=5000, ntwx=5000).
Thanks in advance.
A good weekend to all
George
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Received on Sat May 21 2011 - 08:30:02 PDT
