hello
i want to simulate water inside a nanotube but i got error in argument of pair coeff .
please help me to correct my input file.
thanks a lot
units real
dimension 3
boundary p p p
atom_style full
read_data cnt.data
read_data water.data add append offset 1 1 1 1 1
special_bonds lj/coul 0 0 0.5
pair_style hybrid/overlay lj/cut 10 tersoff lj/cut/tip4p/cut 3 2 2 2 0.15 8.5
pair_coeff * * tersoff SiC.tersoff C C
pair_coeff 1 2 none
pair_coeff 1 3 none
pair_coeff 2 3 none
pair_coeff 1 2 lj/cut 1 1 10
pair_coeff 1 3 lj/cut 1 1 10
pair_coeff 2 2 lj/cut/tip4p/cut 0.0 0.0
pair_coeff 2 3 lj/cut/tip4p/cut 0.0 0.0
pair_coeff 3 3 lj/cut/tip4p/cut 0.1550 3.1536
bond_style harmonic
bond_coeff 2 450 0.9572
angle_style charmm
angle_coeff 2 55 104.52 0.0 0.0
timestep 1
velocity all create 300 1234
fix 1 all nve
dump CNT_dump all xyz 10 CNT_dump.xyz
thermo 10
thermo_style custom step pe ke etotal
run 50000