[lammps-users] atom lost when bond break

Hello all
Once bond is broken , the atoms will run out of the box ,though in my defination,bond break when 2 atoms are seperated by a distance not far from the equilibribum bond length.
My input as follow

units real
atom_style bond
bond_style harmonic
pair_style lj/cut 10.0
read_data data.reaction
pair_coeff * * 100.0 3.0
neighbor 2.5 bin
neigh_modify every 10 delay 0 check no
fix 1 all nve
fix 2 all temp/berendsen 1000.0 1000.0 0.5
fix 3 all bond/break 10 1 1
special_bonds lj/coul 0 1 1
thermo 100
timestep 0.1
compute bnd all property/local btype batom1 batom2
dump 1 all atom 1 lammps.trajectory
dump 2 all local 1 dump.bond index c_bnd[1] c_bnd[2] c_bnd[3]

run 50000


If you are saying you lose atoms once a bond is broken, then
that’s a problem with your model, not LAMMPS. If your energetics
are such that 2 atoms fly apart very fast when the bond breaks,
then you need to break the bond more gently, or use a smaller
timestep, or try something like fix nve/limit.