###########################################################
units         micro
atom_style    full
dimension     3
boundary      p p p
timestep      2

###################### Variables ######################
variable TH         equal 800
variable T          equal 310
variable velSeed    equal 456787
variable thermoT    equal 1000
variable runtime    equal 100000

###################### Interactions ######################
bond_style      harmonic
angle_style     cosine
special_bonds   lj 0 0 1
pair_style      lj/cut 20
neighbor        2.0 nsq
read_data       Fiber-netwrok.data

################## Coefficients ############################
mass            * 2.02
bond_coeff      * 720000 5.5
angle_coeff     * 10
pair_coeff      * * 1 6 6.8

thermo_style    custom step temp press etotal pe ke epair ebond eangle lx ly lz vol density
thermo          100


################## Output ###################################
thermo_style    custom step temp press etotal pe ke epair ebond eangle lx ly lz vol density
thermo          ${thermoT}

dump            1 all custom 500 min.lammpstrj id type mol x y z
velocity        all create ${T} ${velSeed}
minimize        1e-10 1e-10 20000 20000
write_data      min.data
undump          1

################## Weeks-Chandler-Anderson ##################
pair_style      lj/cut 20
pair_coeff      * * 1 6 6.8

################## Annealing ##################
reset_timestep      0

thermo              100
thermo_style        custom step time temp press etotal pe ke epair ebond eangle lx ly lz vol density

dump                3 all  custom 100 relax.lammpstrj id type mol x y z
fix                 0 all nve
fix                 1 all langevin ${T} ${T} 10 699483
run                 500000
undump              3

write_data          Equil.data
write_restart       Equil.rest
print               "ALL DONE"