# Kob and Andersen model Phys. Rev. E 51, 4626 (1995)

units           lj
atom_style      atomic

pair_style      lj/cut 2.5
pair_modify     shift yes

read_data       data.widom.lj

pair_coeff      1 1 1.0 1.0 2.5
pair_coeff      1 2 1.5 0.8 2.0 
pair_coeff      2 2 0.5 0.88 2.2

neighbor        0.3 bin
neigh_modify    delay 0 every 5 check yes

fix             mywidom all widom 10 100000 2 29494 0.75

fix             1 all langevin 0.75 0.75 0.1 48279 zero yes
fix             2 all nve

timestep        0.002

thermo_style    custom step temp pe etotal press vol density f_mywidom[1] f_mywidom[2] f_mywidom[3]
thermo          10

run             100