# ----------------- Init Section ----------------- include "sys_ThreeByThree_single.in.init" # ----------------- Atom Definition Section ----------------- read_data "sys_ThreeByThree_single.data" # ----------------- Settings Section ----------------- include "sys_ThreeByThree_single.in.settings" # ----------------- Run Section ----------------- # -- minimize -- # minimize 1.0e-5 1.0e-7 1000 10000 # timestep 1.0 fix fxnve all nve # -- Now, finally run the simulation -- run 10 # ---- (end of examples) ----