# 3x3 array of liquid-crystal molecules # long-range Coulombics via PPPM, NPT units real neighbor 2.0 1 20 0 1 coulomb style pppm 10.0 1.0E-4 nonbond style lj/cutoff 10.0 0 mixing style arithmetic read data data.lc.big create temp uniform 300.0 4762 temp control nose/hoover 300.0 320.0 0.01 press control nose/hoover xyz 1.0 1.0 0.0001 timestep 1.0 thermo flag 50 run 100