######################################
# INITIALIZATION
units real
boundary p p f
atom_style atomic
pair_style lj/cut 15
log log.PE_cl100_test.txt
#read_data readdata.txt

read_restart file.restart.100000



region top block 0 340 0 340 360 380 side in units box
region bottom block 0 340 0 340 -40 -20 side in units box

######################################
# DEFINE INTERATOMIC POTENTIAL


mass 1 40

pair_coeff 1 1 0.183 3.54 15

######################################



fix reftop all oneway 1 top -z
fix refbottom all oneway 1 bottom z




#####################################################
#MINIMIZATION

neighbor 2 bin 
neigh_modify every 4 delay 0 check yes

thermo 1000 
thermo_style custom step pe 


#min_style hftn
#minimize 1e-15 1e-15 1000000 2000000 



#velocity all create 273 123456 dist gaussian 
timestep 1




#fix 1 all nvt temp 300 300 100

#restart 100000 file.restart



#run 100000

#unfix 1

 


fix 2 all nvt temp 300 300 100

run 400000



#####################################################
print "All done"