# Frozen tube with water boundary p p p units lj atom_style atomic read_restart emptyTube.restart lattice custom 3.0 a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 & basis 0.5 0.0 0.0 basis 0.0 0.5 0.0 basis 0.0 0.0 0.5 region box block -7.0 7.0 -7.0 7.0 -10.0 10.0 region intube cylinder z 0.0 0.0 5.0 -10 10 region outtube cylinder z 0.0 0.0 5.0 -10 10 side out # Uncomment it if you don't use restart file #create_box 1 box #create_atoms 1 box #mass 1 1.0 group freeatoms region intube group frozenatoms region outtube group inter intersect freeatoms frozenatoms neighbor 0.3 bin neigh_modify delay 0 every 4 check no #******************DPD****************** #to store velocities by ghost atoms communicate single vel yes # T cutoff seed pair_style dpd 0.1 1.0 34387 # atom_type atom_type a gamma=sigma^2/2 cutoff(optional) # where a is Fc coefficent. pair_coeff 1 1 25.0 45.0 1.0 thermo 500 timestep 0.001 fix 1 frozenatoms freeze fix 3 all nve #fix 5 freeatoms wall/bb 5.0 dump mydump1 freeatoms atom 1 dump_chain1.atom dump mydump2 frozenatoms atom 1 dump_chain2.atom dump mydump3 inter atom 1 dump_chain3.atom run 1