in.dipole
dadf60427b97lammm-master-deprecated

in.dipole
View Options

			units real
			atom_style hybrid angle dipole sphere
			read_data data.dipole
			include forcefield.elba

			velocity all create 303.15 87287

			group lip type 2 3 4 5 6
			group wat type 1

			neighbor 1.5 bin
			neigh_modify delay 2 every 1 check yes

			fix integrate all nve/sphere update dipole
			fix tempLip lip langevin 303.15 303.15 200 48279 omega yes
			fix tempWat wat langevin 303.15 303.15 200 48279 omega yes
			fix removeMomentum all momentum 1 linear 1 1 1

			thermo_style custom step temp press etotal ke pe
			thermo 10

			timestep 15
			run 100