import "toluene.lt" # <- This defines the toluene molecule. toluene = new TOLUENE [10].move(0.00, 0.00, 8.0) [10].move(0.00, 8.0, 0.00) [10].move(8.0, 0.00, 0.00) # Periodic boundary conditions: write_once("Data Boundary") { 0.0 80.0 xlo xhi 0.0 80.0 ylo yhi 0.0 80.0 zlo zhi }