[lammps-users] Lost Atoms

Dear LAMMPS-creators,

I am using LAMMPS as part of my project to simulate the interactions of 218 atoms in a (100Angs)^3 box. But when I run the simulation, I keep getting an error (warning) that I have lost atoms at the start of my simulation.

I'm not quite sure what that means and why these atoms were lost. The error message says the following:

WARNING: Lost atoms: original 218 current 212.

How can I avoid this problem? Is this because I am using periodic boundary conditions (by default) or because I have placed too many atoms in the simulation box?


Try to figure out where they went - print out thermo every step, see
if something blows up. Viz the system.