units lj neighbor 2.5 bin neigh_modify every 1 delay 0 check yes page 2000000 atom_style atomic pair_style soft/omp 1.12246 special_bonds lj/coul 1.0 1.0 1.0 read_data data.dpd variable prefactor equal 1.0+elapsed*(60.0-1.0)/1000 pair_coeff * * 0.0 1.12246 # start with all velocities = 0 velocity all zero linear timestep 0.02 communicate single vel yes # integration ensemble fix 1 all nve # thermostat fix 2 all temp/rescale 1 0.0 1.0 0.01 1.0 # grow soft interaction potential fix 3 all adapt 1 pair soft/omp a * * prefactor # output thermodynamic data thermo_style custom step temp etotal evdwl v_prefactor thermo 100 run 1000 unfix 1 unfix 2 unfix 3 variable prefactor equal 60.0 reset_timestep 0 #----------------------------------------------------------------------------# #set DPD pair coefficients pair_style dpd/omp 1.0 3.0 34387 pair_coeff 1 1 78.0 4.5 1.0 pair_coeff 1 2 50.0 4.5 1.0 pair_coeff 2 2 78.0 4.5 1.0 fix 3 all nve thermo_style custom step temp etotal evdwl thermo 100 run 2000