On Thu, Dec 28, 2017, Rana Rehan Khalid wrote:
>
> I already ran the simulation for 20ns which took to much time and file size
> is also large due to ntpr=100, ntwx=100, but now i want to increase the
> ntpr=1000, ntwx=1000, and ntwr=10000 for the rest 30 ns can I do this? or
> is it affected on post dynamics analysis.
You can do this. Just remember what was done when you do analysis. You'll
probably have something like this for cpptraj:
trajin md20ns.nc 10 last 10
trajin md30ns.nc
This will take every 10th frame for the first 20ns and every frame for the
subsequent 30ns, so that you will effectively be looking at every 1000th
time step for everything. Adjust as needed.
....dac
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Received on Wed Dec 27 2017 - 14:30:02 PST
