Ramping down the temperature in NPT

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1

Hello LAMMPS users,

I am interested in cooling the system from 600 K to 200 K at different rates and thereby, predict the glass transition temperature (Tg).
Due to the wall time on the clusters, the jobs at slow cooling rates were interrupted. I can restart those simulations while replacing Tstart with the
average temperature for last few steps in the fix NPT line.

However, I am wondering if there is any smart way of restarting such simulations without manual entry of Tstart?

Thanks in advance,
Karteek

2

please check out the start/stop keywords to the run command. axel.

3

Hello Axel,

Thanks for the help. It did work.
Run command :
“run 1000000 upto start 0 stop 1000000” for the initial and restart simulations without changing it.

Thanks,
Karteek