# General
units real
atom_style full
dimension 3
#newton on
boundary p p p

# Styles
pair_style      lj/cut 12.5 #/coul/long 12.5 9.5 #pair_cutoff charge_cutoff
bond_style      harmonic
angle_style     harmonic
dihedral_style  multi/harmonic
improper_style  harmonic

#kspace_style 	pppm 1.0e-4 

special_bonds   lj/coul 0 0 0.5

# System definition
read_data "polymer.data"

# Settings
dielectric 1.0
neighbor 2.0 bin
neigh_modify delay 0 every 1 check yes page 500000 one 50000

thermo_style    custom step temp etotal pe evdwl ecoul epair ebond &
		eangle edihed eimp elong press vol density 
thermo 100
timestep 1.0

# Equilibration
fix             1 all npt temp 270.0 270.0 50 aniso 1 1 1000 drag 2
run             1000
unfix 1
write_data      stage2.data