
variable T equal 10

# Setup
# ---------------------- 

dimension   2
boundary    p f p

units		metal
atom_style	bond
atom_modify sort 0 1.
bond_style  harmonic
pair_style  none
comm_modify cutoff 2.0

neighbor 0.5 nsq
neigh_modify delay 0 check no

timestep  0.005

# Read atomic positions
# ----------------------

# Bonds and masses defined in data file 
read_data	data.1000.pos

# Initialize
# ---------------------- 

compute   MyTemp all temp/partial 1 0 0
variable double_T equal 2*${T}
velocity  all create ${double_T} 123456 mom yes rot yes dist gaussian temp MyTemp
velocity  all set NULL 0.0 0.0 units box

fix 1 all setforce NULL 0. 0.
fix 2 all nve

thermo_style  custom step temp pe etotal
thermo_modify temp MyTemp
thermo   100

# Run Equilibration
# ---------------------- 

run 50000

# Run Sampling
# ---------------------- 

dump myDump all custom 10 dump_T$T.gz id type xs ys zs vx vy vz
run 		400000
