in.srp
507bde5b5a92lammm-master-deprecated

in.srp
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			units lj
			atom_style full
			boundary p p p

			special_bonds lj/coul 1 1 1
			newton on on

			# save an extra atom type for bond particles
			read_data data.chain

			neighbor 2.0 bin
			neigh_modify every 10 check yes

			bond_style harmonic
			bond_coeff * 225.0 0.85

			comm_modify vel yes

			# must use pair hybrid, since srp bond particles
			# do not interact with other atoms types
			pair_style hybrid dpd 1.0 1.0 373692 srp 0.8 1 mid
			pair_coeff 1 1 dpd 60.0 4.5 1.0
			pair_coeff 1 2 none
			pair_coeff 2 2 srp 100.0

			# auto normalization of thermo quantites is turned off by pair srp
			# just divide by natoms
			variable natoms equal count(all)
			variable nPotEng equal c_thermo_pe/v_natoms

			thermo 50
			thermo_style custom step temp pe v_nPotEng press atoms v_natoms lx ly lz

			fix 1 all nve
			timestep 0.01

			restart 500 mid-run-*.restart

			run 1000

			write_restart end-run.restart