PARM.FILE-omp
909931539d6dlammm-master

PARM.FILE-omp
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			# Generated by setup_lammps

			pair_style hybrid/overlay cg/cmm/omp 15.0 coul/long/omp 25.0
			bond_style harmonic
			angle_style cg/cmm
			special_bonds lj/coul 0.0 0.0 1.0

			mass 1 96.0576 # SO4
			mass 2 42.0804 # CM
			mass 3 43.0883 # CT
			mass 4 77.0342 # SOD
			mass 5 54.0460 # W

			pair_coeff 1 1 coul/long/omp # SO4 SO4
			pair_coeff 1 4 coul/long/omp # SO4 SOD
			pair_coeff 4 4 coul/long/omp # SOD SOD
			pair_coeff 1 1 cg/cmm/omp lj9_6 0.7000 4.3210 # SO4 SO4
			pair_coeff 1 2 cg/cmm/omp lj9_6 0.3830 4.4135 # SO4 CM
			pair_coeff 1 3 cg/cmm/omp lj9_6 0.4050 4.4530 # SO4 CT
			pair_coeff 1 4 cg/cmm/omp lj12_4 1.1000 4.1000 # SO4 SOD
			pair_coeff 1 5 cg/cmm/omp lj12_4 1.1000 4.1000 # SO4 W
			pair_coeff 2 2 cg/cmm/omp lj9_6 0.4200 4.5060 # CM CM
			pair_coeff 2 3 cg/cmm/omp lj9_6 0.4440 4.5455 # CT CM
			pair_coeff 2 4 cg/cmm/omp lj12_4 0.3400 4.4385 # SOD CM
			pair_coeff 2 5 cg/cmm/omp lj12_4 0.3400 4.4385 # W CM
			pair_coeff 3 3 cg/cmm/omp lj9_6 0.4690 4.5850 # CT CT
			pair_coeff 3 4 cg/cmm/omp lj12_4 0.3600 4.4780 # SOD CT
			pair_coeff 3 5 cg/cmm/omp lj12_4 0.3600 4.4780 # W CT
			pair_coeff 4 4 cg/cmm/omp lj12_4 0.3500 4.3710 # SOD SOD
			pair_coeff 4 5 cg/cmm/omp lj12_4 0.8950 4.3710 # SOD W
			pair_coeff 5 5 cg/cmm/omp lj12_4 0.8950 4.3710 # W W

			bond_coeff 1 11.0000 3.6300 # SO4 CM
			bond_coeff 2 6.1600 3.6400 # CM CM
			bond_coeff 3 6.1600 3.6500 # CM CT

			angle_coeff 1 1.1000 178.0000 lj9_6 0.3830 4.4135 # SO4 CM CM
			angle_coeff 2 1.1900 173.0000 lj9_6 0.4200 4.5060 # CM CM CM
			angle_coeff 3 1.1900 175.0000 lj9_6 0.4440 4.5455 # CM CM CT