# LAMMPS input file variable gamma equal 0.1 units real boundary p p p communicate single vel yes atom_style full bond_style harmonic angle_style harmonic pair_style hybrid/overlay lj/cut/coul/long 14.0 10.0 dpd/tstat 300.0 300.0 10.0 85273 kspace_style pppm 1.0e-4 read_data data.simple pair_coeff 1 * lj/cut/coul/long 0.0 0.0 pair_coeff 2 2 lj/cut/coul/long 0.1521 3.151 pair_coeff * * dpd/tstat ${gamma} bond_coeff 1 0.0 0.9572 angle_coeff 1 0.0 104.5 neighbor 2.0 bin neigh_modify delay 5 fix shakeh2o all shake 1.0e-4 200 0 b 1 a 1 fix nveall all nve dump 1 all xyz 1000 dump.xyz dump_modify 1 flush yes thermo 100 thermo_modify flush yes timestep 2.0 velocity all create 300.0 63943 run 1000