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,