# Initialize simulation
units lj
atom_style molecular
boundary p p p

# Read data file
read_data init.data

# Neighbor list settings
neighbor        0.4 bin

# Pair potential (LJ with cutoff at 2^(1/6))
pair_style lj/cut 1.122462048309373
pair_coeff 1 1 1.0 1.0 1.122462048309373

# Bond potential (FENE)
bond_style fene
bond_coeff 1 30.0 1.5 1.0 1.0
special_bonds fene

# Integrator settings
timestep 0.005
fix 1 all nvt temp 1.0 1.0 1.0
fix 2 all langevin 1.0 1.0 1.0 5

# Run simulation
run 10000
dump 2 all custom 1000 traj.lammpstrj id type x y z ix iy iz vx vy vz
run 100000
