[lammps-users] Something about "angle atoms missing on..."

Hello everyone,
I am using LAMMPS to simulate water box with simple SPC model, but while it runs at step 745, the following error message prints:
“Angle atoms 306 305 307 missing on proc 0 at step 745”
I would be grateful if someone could give me any advice.
The input file is listed as follows and the data file is attached.
Input file:
#test programe for SPC water
dimension 3
boundary p p p
units real
atom_style full

read_data water.data
pair_style lj/charmm/coul/long 8.0 9.0 10.0
pair_coeff 1 1 3.1656 0.1555
pair_coeff 2 2 0 0
pair_coeff 1 2 0 0
bond_style harmonic
bond_coeff 1 450 1
angle_style harmonic
angle_coeff 1 55 109.47
dihedral_style none
improper_style none
kspace_style ewald 0.0001
neighbor 0.5 bin
neigh_modify delay 5
velocity all create 298.15 2349852
timestep 1.0
thermo_style multi
thermo 50
#fix 1 all nve
#fix 2 all shake 0.0001 10 10 b 1 a 1
fix 3 all rigid molecule
dump 1 all atom 50 dump.water
dump 2 all bond 50 bond.water
restart 500 water.restart
run 1000

Best Regards!

water.data (126 KB)

This typically happens b/c the system blows up and some atom
moves too far away. So I would turn on thermo output
every step and try to see why your system is blowing up.

Steve