# GayBerne ellipsoids with bonded spherical LJ particles

units	     lj
atom_style   hybrid angle ellipsoid
dimension    3

boundary     p p p
neighbor     1 bin
neigh_modify delay 0
atom_modify sort 0 0
restart 10000 polymer_ellipse.restart
read_data ellipsoid.dat

group 	     polymer type 1
group	     ellipse type 2

pair_style   gayberne 1.0 3.0 1.0 4.0
pair_coeff   1 1 3.0 1.0 1 1 1 1 1 1 2.5
pair_coeff   1 2 3.0 1.0 1 1 1 0 0 0
pair_coeff   2 2 1.0 1.0 1 1 0.2 0 0 0

#POLYMER

angle_style   cosine
angle_coeff   1 1.0
bond_style   fene
bond_coeff   1   30.0   1.5   1.0   1.0

#RUN DYNAMICS

thermo_style multi
thermo	     100

timestep     0.002

fix	     1 all nve/asphere
#fix 2 all   langevin   1.0 1.0   1.0   111111   ###Langevin integrator Tstart Tstop 1/friction rndseed
run	     2000