[lammps-users] fix msd, restart files

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1

Hi. Is the original configuration of a system stored in restart files? That is, if you are doing a run with fix msd, stop it, and restart it from a restart file, will the MSD pick up where it left off or will it revert to zero?

Thanks,
Rob

2

HI Rob.

Yes, it is stored in the restart file. So it picks up where it left off as long as you use the same fix ID and haven’t issued an “unfix” command. It is easy to tell when LAMMPS is picking up where it left off because you’ll see a message like this:

Resetting per-atom state of Fix 2 Style msd from restart file info

Paul

Hi. Is the original configuration of a system stored in restart
files? That is, if you are doing a run with fix msd, stop it, and
restart it from a restart file, will the MSD pick up where it left
off or will it revert to zero?

Thanks,
Rob