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Re: [lammps-users] How to make MSD output for every 0.5 ns
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Re: [lammps-users] How to make MSD output for every 0.5 ns


From: Steve Plimpton <sjplimp@...24...>
Date: Mon, 31 Jul 2017 08:30:22 -0600

You can use a run every command (or put a loop in
your input script) and redefine the compute msd command
and/or fix ave time command you are using for the output,
to start afresh every N timesteps.

Steve

On Sun, Jul 30, 2017 at 7:22 AM, Nishad Khan <nishadjnu@...24...> wrote:
Dear All 

I run simulation for 3ns and I want to calculate MSD for every 0.5ns.

Is it possible to make different MSD output file for each 0.5ns? or any other way?

Any kinds of comments will be helpful 

Thanks 

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