# FENE beadspring benchmark

variable	x index 1
variable	y index 1
variable	z index 1

units		lj
atom_style	bond
atom_modify	map hash
special_bonds   fene

read_data	data.chain

replicate	$x $y $z

neighbor	0.4 bin
neigh_modify	every 1 delay 1

bond_style      fene
bond_coeff	1 30.0 1.5 1.0 1.0

pair_style	lj/cut 1.12
pair_modify	shift yes
pair_coeff	1 1 1.0 1.0 1.12

fix		1 all nve
fix		2 all langevin 1.0 1.0 10.0 904297

thermo          100
timestep	0.012

run		100