system.lt
4a1807d39739lammm-master-deprecated

system.lt
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			# LAMMPS supports a large number of force-field styles. We must select
			# which ones we need. This information belongs in the "In Init" section (and
			# (you can specify it anywhere in your LT files, multiple times if you like).
			# If different molecules use different force-field styles, you can use hybrid
			# styles. (In this example the molecules share the same pair_style.)

			write_once("In Init") {
			units real
			atom_style full
			bond_style harmonic
			angle_style harmonic
			dihedral_style opls
			pair_style lj/cut 9.0
			# If you have charged molecules immersed in a salty implicit
			# solvent, you might try something like this this instead:
			# pair_style lj/cut/coul/debye 0.1 9.0
			pair_modify mix arithmetic
			dielectric 80.0
			special_bonds lj 0.0 0.0 0.0
			}


			write_once("Data Boundary") {
			0.0 150.0 xlo xhi
			0.0 150.0 ylo yhi
			0.0 150.0 zlo zhi
			}


			import "polymer.lt"

			polymer = new RandomHeteropolymer