I use pair_style lj/cut/coul/long/tip4p command ,and the length of simulation box is 36,and cutoff 15.
I recive this error “Out of range atoms - cannot compute PPPM”.
can you help me to solve this error
reduce the timestep or run energy minimizing at first.
2009/4/19 esi zamin <[email protected]…24…>
This error occus because atoms are moving too far. Read the
doc page entry in Section_errors.html for ideas. Make sure
you are checking for reneighboring every step. If that still
fails, figure out why your atoms are moving too far.