processors          2 2 2

units               lj
atom_style          full
neighbor            0.36 bin
neigh_modify        delay 0 check yes

comm_modify 		mode single cutoff 10.0 vel yes

pair_style          lj/cut 2.5
bond_style 			fene
angle_style         harmonic

special_bonds       lj  0.0 1.0 1.0

read_data           Data_File_100chains.data extra/atom/types 2 extra/bond/types 1 extra/bond/per/atom 1

pair_coeff          * * 1.0 1.0 2.5
bond_coeff          * 30.0 1.5 1.0 1.0
angle_coeff         1 100 90
angle_coeff         2 100 180

mass                * 1.0

timestep            0.001
reset_timestep      0

dump                1 all custom 100000 *_Monomer_Coordinates id mol type xu yu zu
thermo              100
thermo_style        custom step temp ke pe etotal epair pxx pyy pzz lx ly lz

compute             b1 all property/local btype batom1 batom2
compute             b2 all bond/local dist engpot force
dump                2 all local 100000 *_Bond_Analysis index c_b1[*] c_b2[*]

compute             a1 all property/local atype aatom1 aatom2 aatom3
compute             a2 all angle/local theta eng
dump                3 all local 100000 *_Angle_Analysis index c_a1[1] c_a1[2] c_a1[3] c_a1[4] c_a2[1] c_a2[2]

fix                 2 all npt temp 1.0 1.0 10.0 iso 0.0 0.0 10.0
fix                 3 all bond/create 10 3 3 1.0 2 iparam 1 5 jparam 1 5
fix                 4 all bond/create 10 4 4 1.0 2 iparam 1 6 jparam 1 6 

# min_style       	cg
# minimize        	1e-25 1e-25 500000 1000000 

run                 20000000
write_data          Polymer_Network_I.data

unfix 				3
unfix				4

angle_coeff         1 0 90
angle_coeff         2 0 180

run                 20000000

write_data          Polymer_Network_II.data
write_restart       my_restart_lj
print "All done"