# -- Init Section --

#units           real
units           lj

atom_style      full
bond_style      hybrid harmonic
angle_style     hybrid harmonic
pair_style hybrid lj/charmm/coul/charmm 3.5 4.0
pair_modify     mix arithmetic
special_bonds   lj 0.0 0.0 0.0

# -- Atom Definition Section --

read_data test_norm.data

# -- Settings Section --

pair_coeff  1 1  lj/charmm/coul/charmm 1.0 1.0
bond_coeff  1    harmonic    66.6   1.0
angle_coeff 1    harmonic    66.6  105.0

# -- Run Section ---

timestep        0.001

fix fxnve all nve

thermo_style    custom step temp pe etotal press vol epair ebond eangle edihed

# commenting out (this line should not be necessary, but it is for "lj" units)
# thermo_modify   norm no  #(report total energy not energy / num_atoms)

thermo          1000     #(time interval for printing out "thermo" data)

run		1000000