#Lammps test
#newton          off

variable        T	equal 1.0

units           lj

atom_style      atomic

boundary	p p p

pair_style      lj/cut  2.5

read_data       system.data

pair_coeff      1 1 1.0 1.0 1.0

pair_coeff      2 2 1.0 0.8 0.8

pair_coeff      1 2 1.0 0.9 0.9

group           C type 2

group           O type 1

velocity        all create $T 825577 dist gaussian

neighbor	0.3 bin

neigh_modify    every 20 delay 0 check no

timestep        0.001

thermo		1000

minimize        1.0e-4 1.0e-4 10000 10000

fix				1 O gcmc 1 1 1 1 29494 $T 3.982254 0.1 group O

fix				2 C gcmc 1 1 1 2 29494 $T 1.065682 0.1 group C

variable        NumO equal count(O)/22.584864693/22.584864693/22.584864693 

variable        NumC equal count(C)/22.584864693/22.584864693/22.584864693

thermo_style    custom step v_NumO v_NumC

run             1000000

#dump            1 all image 50000 movie*.jpg element element size 1280 720 zoom 1.5 view 90.0 0.0 atom yes box yes 0.01

#dump_modify     1 element O C

run             1000000

clear