# molecular dynamic simulation; chain extended molecule, long spacers
units lj
dimension  3
boundary p p p
atom_style angle

read_data data_long.dat

bond_style harmonic
bond_coeff 1 1 1.0

special_bonds lj 0.0 0.0 0.0 angle yes

pair_style lj/cut 5.0
pair_coeff 1 1 1 0.5
pair_modify shift yes
pair_coeff 1 2 0.1 0.5 0.561
pair_coeff 2 2 0.1 0.5 0.561


neigh_modify page 100000
neigh_modify one 10000

angle_style harmonic
angle_coeff 1 10.0 180

min_style cg  
minimize 1.0e-4 1.0e-6 10000 100000

fix 1 all nvt temp 0.1 0.1 0.1

dump 1 all custom 100 ext_chain_long_bnd_no_interaction.md id type xu yu zu
timestep 0.0005
run 100000000