units           metal
neigh_modify    delay 2 every 1
lattice         fcc 2.5
region          A block -53 53 -33 33 -33 33
atom_style      full
bond_style      harmonic
angle_style     charmm
dihedral_style  charmm
improper_style  harmonic

pair_style      hybrid lj/charmm/coul/long 8 10 airebo 5.0 lj/cut 2.5
read_data       cntw-ade.data
pair_coeff      1*22 1*22 lj/charmm/coul/long 100.0 2.0
pair_coeff      * * airebo CH.airebo NULL NULL NULL NULL NULL NULL NULL NULL
NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL C
pair_coeff       1*22 23 lj/cut 1.0 1.0 

group            nanotube id > 3280
displace_atoms   nanotube move 20 0 0
special_bonds   charmm
fix             1 all nve
fix             2 all shake 1e-6 500 0 m 1.0
velocity        all create 300.0 12345678 dist uniform
thermo          1
thermo_style    multi
timestep        0.5

restart         10 cntw.restart1 cntw.restart2
dump            1 all xyz 100 cntw-ade.xyz
dump_modify     1 image yes scale yes

run             20000