# parallel computing settings
package omp * force/neigh
suffix omp

echo screen

# periodic boundary in x z direction 
boundary	p s p

units lj
atom_style full

special_bonds fene

read_data wholesmall.data

neighbor 0.4 bin
neigh_modify every 1 delay 1
comm_modify mode single vel yes

bond_style      hybrid harmonic fene

bond_coeff 1 harmonic 30  1.5
bond_coeff 2 fene    30.0   1.5 1.0 1.0
bond_coeff 3 harmonic 30  1.5


#pair_style	    hybrid/overlay airebo 3.0 1 1 lj96/cut 2.5 lj/sf 2.5 yukawa 1.0 2.5 dpd 1.0 1.0 122347

# define group

group diamondlikecarbon type 1
group lubricant type 3 2
group flathead type 4
group subtop type 5
group subbottom type 6

velocity	diamondlikecarbon set 0.0 0.0 0.0
velocity	subtop set 0.0 0.0 0.0
velocity	subbottom set 0.0 0.0 0.0
velocity	flathead set 0.0 0.0 0.0

group mobile subtract all diamondlikecarbon subtop subbottom flathead

dump 1 all custom 1000 wholesmallt4.lammpstrj id mol type x y z ix iy iz


fix		1 mobile nve
fix     2 diamondlikecarbon setforce 0.0 0.0 0.0
fix     3 subbottom         setforce 0.0 0.0 0.0
fix     4 subtop            setforce 0.0 0.0 0.0
fix     5 flathead          setforce 0.0 0.0 0.0
#fix		fxlan mobile langevin 1.0 1.0 10.0 904297

timestep	0.01
thermo      1000

pair_style	    dpd 1.0 1.0 122347
pair_coeff * * 25 4.5 1.0
velocity mobile create 1.0 17786140
run 20000
pair_coeff * * 50.0 4.5 1.0
velocity mobile create 1.0 15086120
run 50
pair_coeff * * 100.0 4.5 1.0
velocity mobile create 1.0 15786120
run 50
pair_coeff * * 150.0 4.5 1.0
velocity mobile create 1.0 15486120
run 50
pair_coeff * * 200.0 4.5 1.0
velocity mobile create 1.0 17986120
run 100
pair_coeff * * 250.0 4.5 1.0
velocity mobile create 1.0 15006120
run 100
pair_coeff * * 500.0 4.5 1.0
velocity mobile create 1.0 15087720
run 100
pair_coeff * * 1000.0 4.5 1.0
velocity mobile create 1.0 15086189
run 100