#Input file for CO2
boundary p p p
units		lj
atom_style	full
read_data	initial.conf
mass           1 12.0107
mass           2 15.9994
pair_style     lj/charmm/coul/long 16.0 18.0 18.0
kspace_style   pppm 5.0e-5
pair_coeff     1 1 0.0023266827 2.800
pair_coeff     1 2 0.0039798693 2.925
pair_coeff     2 2 0.0068077011 3.050
velocity       all create 300.0 234324324 dist gaussian mom yes rot yes
thermo_style   multi
thermo         100
thermo_modify  norm no

fix             1 all rigid molecule torque * off off off
fix             2 all langevin 300.0 300.0 0.1 812952
#dump            1 all dcd 50 co2.dcd
#dump_modify     1 unwrap yes
timestep 0.001
run     1000