units           lj
atom_style      ellipsoid
dimension       2
boundary        p p p

read_data       gb.txt

variable        dt index                0.001
variable        runStep index           2000000
variable        dumpFrequency index     200
variable        thermoFrequency index   200

variable        T index 24
variable        E index 3


velocity        all create $T 87287 loop geom

pair_style      gayberne 1.0 3.0 1.0 4.0
pair_coeff      * * 1.0 1.0 $E $E 1 $E $E 1 4.0

comm_modify     mode single vel yes
neighbor        1.9 bin
neigh_modify    delay 0 every 1 check yes 

fix             1 all nvt temp $T $T $(100.0*dt)
fix             2 all enforce2d

compute         q all property/atom quatw quati quatj quatk
compute         sh all property/atom shapex shapey shapez

variable        pi equal 3.141592653589793
variable        redu_density equal atoms*3*${pi}/vol/4


thermo_style    custom step temp press pe v_redu_density
thermo          ${runStep}

fix             thermo_print all print ${thermoFrequency} "$(step) $(temp) $(press) $(pe) $(v_redu_density)" file thermo_$T.txt title "#Step Temperature Pressure Potential_Energy Area_Fraction" screen no

dump            1 all custom ${dumpFrequency} dump_$T.patch id type x y z c_q[1] c_q[2] c_q[3] c_q[4] c_sh[1] c_sh[2] c_sh[3]
dump_modify     1 sort id

timestep        ${dt}
reset_timestep  0
restart         ${runStep} restart_$T
run             ${runStep}