## Initialization

units real                                                                                 
dimension 3                                                                                
boundary p p p                                                                             
atom_style full                                                                            	
processors * * *

pair_style lj/class2/coul/long 10                                                       
pair_modify mix sixthpower                                                             
bond_style class2                                                                     
angle_style class2       
dihedral_style class2       
improper_style class2                                                                
kspace_style ewald 1.0e-4  
special_bonds lj/coul 0 0 0.5      

neighbor 0.2 bin                                                                                 
neigh_modify delay 0 every 5 check yes   

read_data Test1.data 

timestep 1.0
thermo 1000
thermo_style custom step temp ke pe pzz lz
log none

## Setting

velocity all create 5 888888 mom yes rot yes dist gaussian loop geom  

min_style sd                                                  
minimize 1.0e-15 1.0e-15 10000 100000 

fix 2 all shake 0.0001 10 0 b 1 a 1

## Heat and NVT  

fix 3 all nvt temp 5 300 $(100*dt)

run 50000

unfix 3
reset_timestep 0

fix 4 all nvt temp 300 300 $(100*dt)

dump 1 all custom 1000 All.dump id type x y z q

dump_modify 1 sort id

restart 5000000 Restart.dat

run 100000000