[lammps-users] out of range atoms - cannot compute PPPM
Jana Pritam <pritam.jana@...3660...>
Sun, 18 Jun 2017 14:05:05 +0000
I am using SPCE/fw water model for NPT simulation with periodic boundary condition along x,y,z. I use fix shake command. I obtain an error with "out of range atoms - cannot compute PPPM”
Could you please help me to overcome this problem? If you need more information I will be happy to supply it.