thank you.
On Thu, Dec 28, 2017 at 3:16 AM, David A Case <david.case.rutgers.edu>
wrote:
> 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 - 14:30:03 PST
