I have a question on restarting simulation. I’m simulating a pairwise potential function molecular dynamic system with cooling condition so that the simulation gives a certain crystalization. I’m restarting the simulation by using multiple ‘run’ command but is there any way to keep temperature change the same when I use multiple run command?
For example, I cool the system from 1.0 to 0.01 for 5000 simulation time using ‘run 50000’ and NVT ensemble ‘fix 1 all nvt 1.0 0.01 1 drag 1.0’.
run 5000 and
give different temperature profile. How can I restart the simulation from 3000 with the same temperature as did in ‘run 5000’? Since I want to modify a simulation a little bit at time step 3000 and simulate rest 2000 time step with exactly cooling scheme.