################################
#Template
#Must contain the variables
#  initconf 
#  outtraj
#  outfile
#  interaction
#  run_length
#  samplingrate
#  particle



# VARIABLES

variable iname index $initconf    
variable fname index $outtraj
variable interactions index $interactions


# Initialization
#correspond to x=y=z=1
lattice fcc 4
units		lj
#boundary	f f f
boundary	p p p
atom_style	molecular
log 		log.txt
read_data	${iname}
neighbor 2.0 multi

#########################
#Interactions

include ${interactions}
group particle type $particle

dump 10 all dcd $samplingrate ${fname}


#####################################################
# Equilibration (Langevin dynamics at 5000 K)

velocity 	particle create 1.0 1231
fix		1 particle nve/limit 0.05
fix		addscale particle langevin 1.0 1.0  1 904297  


thermo_style	custom step temp 
thermo          10000
timestep	0.005 
run $run_length

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

write_data $outfile


