# ----------------- Init Section -----------------

atom_style      full
units           lj
pair_style      hybrid lj/cut 2.0
bond_style      hybrid harmonic
special_bonds   lj 0.0 0.0 0.0
fix fxPropAtom all property/atom i_polyindex ghost yes

# ----------------- Atom Definition Section -----------------

read_data system.data fix fxPropAtom NULL PolyIndex

# ----------------- Settings Section -----------------

pair_coeff 1 1  lj/cut    1.0  0.89  1.0
pair_coeff 2 2  lj/cut    1.0  1.78  2.0
bond_coeff 1  harmonic  100.0 1.0
bond_coeff 2  harmonic  10.0 0.0
group gImmobile type 1

# ----------------- Run Section -----------------

timestep 0.001
thermo          20
thermo_style    custom step cpu temp etotal press vol
dump            1 all custom 20 traj.lammpstrj id mol type x y z ix iy iz type

group gMobile subtract all gImmobile

fix fxLAN gMobile langevin 0.0 0.0 100 48279
fix fxNVE gMobile nve  #(<--needed by fix langevin)

run   1000