After running the attached input I got the error that
“ERROR on proc 0: Shake atoms 1 2 3 missing on proc 0 at step 11”
It’s a simulation of water between two slabs.
The lammps help page section on this error says that an atom has probably moved to far.
How can I resolve this?
very respectfully,
in.nick_tip4p_fix_wall (817 Bytes)
data.water_lammps_tip4p_longrange (462 Bytes)