Setting atom charge in LAMMPS

LAMMPS LAMMPS General Discussion
1

Dear LAMMPS users,
I am using TIP4P (2005) model as bellow but I face the following warning and I don not know how to set charges for atoms:

pair_style lj/cut/tip4p/long 2 1 1 1 0.1546 15.0
pair_modify tail yes
kspace_style pppm/tip4p 1.0e-5

WARNING: Using kspace solver on system with no charge (src/kspace.cpp:311)

I appreciate it if you help me with this issue.

Thanks a lot
Hamed

2

You must use the atom_style full in the input script and define the charges in the DATA file. This is clearly explained in the LAMMPS manual, section 8.5.3 TIP4P water model.