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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.


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 


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