DL_MESO phase separation example volume 1000.0 temperature 1.0 cutoff 1.25 timestep 0.01 steps 20000 equilibration steps 0 scale temperature every 10 trajectory 0 100 stats every 100 stack size 100 print every 10 job time 3600.0 close time 200.0 ensemble nvt mdvv l_scr finish