dimension 2
units lj
boundary p p p
atom_style bond
lattice sq 0.31
region simbox block 0 40 0 40 -0.01 0.01
create_box 2 simbox bond/types 1 extra/bond/per/atom 1
molecule dumbbell molecule.txt
create_atoms 0 region simbox mol dumbbell 323324
neighbor 0.6 bin
neigh_modify every 1 delay 0 check yes
mass * 0.02
bond_style harmonic
bond_coeff 1 1000.0 1.0
pair_style lj/cut 1.122462048
pair_modify shift yes
pair_coeff * * 1.0 1.0 1.122462048
comm_modify vel yes cutoff 2.5
minimize 1e-4 1e-6 100000 100000
velocity all create 1.0 235092 mom yes rot yes dist gaussian
fix 1 all rigid/nve/small molecule
fix 2 all langevin 1.0 1.0 1.0 564302
fix 3 all enforce2d
timestep 0.001
thermo 1000
dump 1 all atom 1000 sim.dump
run 200000000