import "dimer_nc.lt" # <- defines the "Dimer_nc" molecule type. HERE YOU IMPORT THE MOLECULE FILES import "oplsaa.lt" # Periodic boundary conditions: DEFINE HOW BIG YOUR SYSTEM VOLUME IS write_once("Data Boundary") { 0.0 80.00 xlo xhi 0.0 80.00 ylo yhi 0.0 80.00 zlo zhi } # Create N dimer_ncs and N benzenes - CHOOSE A SMART NAME FOR YOUR MOLECULE, LIKE glycerols, IN [] PUT THE NUMBER OF MOLECULES # List them in the same order they appear in the PACKMOL .inp file(s). dimer_ncs = new Dimer_nc[4]