units lj dimension 3 atom_style molecular pair_style dpd 1.0 1.0 1893714 bond_style harmonic angle_style cosine/squared #Turn off pairwise interactions between bonded atoms read_data test.dat #group obstacle type 1 group solvent type 1 group polymer type 2 #communicate single vel yes comm_modify vel yes # change neighbor list parameters to avoid dangerous builds neighbor 2.0 bin neigh_modify delay 0 every 1 check yes run_style verlet fix f3 solvent nve fix f4 polymer nve compute c1 solvent temp compute c2 polymer temp timestep 0.04 thermo_style custom c_c1 c_c2 thermo 1000 run 50000 #dump d1 polymer custom 10 traject.dat id xu yu zu run 10000000