# demo for atom style template simulating a cyclohexane methane mixture
# part 2: continuing from data file

units real
boundary p p p
molecule cychex cyclohexane.mol
atom_style molecular

pair_style lj/cut 12.0
pair_modify mix geometric tail yes
bond_style harmonic
angle_style harmonic
dihedral_style harmonic

read_data molecular-mix.data

thermo 100

fix 1 all nvt temp 300.0 300.0 1.0
# dump 1 all custom 100 custom template-mix.lammpstrj id xu yu zu
run 2000