[SPAM] which pair style should be used for system containing Tip4p water molecules and ions

Dear Lammps users/developers,

In my simulation system, there are some water molecules and some ions. I want to use the tip4p water model with a long-range Coulombic solver. After serching the lammps manual, I have learnt that “pair_style lj/cut/tip4p/long” should be used for the tip4p water molecules.

However, because there are some other particles in the system (ions), I’m confused by whether I should use “pair_style hybrid” for my system, in which “pair_style lj/cut/tip4p/long” is used for tip4p water molecule and “pair_style lj/cut/coul/long” for other particles.

Or can I only use the “pair_style lj/cut/tip4p/long” for all the molecules?

I would appreciate any help and suggestion.

Regards!

Zhang

Dear Lammps users/developers,

In my simulation system, there are some water molecules and some ions. I
want to use the tip4p water model with a long-range Coulombic solver. After
serching the lammps manual, I have learnt that “pair_style
lj/cut/tip4p/long” should be used for the tip4p water molecules.

However, because there are some other particles in the system (ions), I’m
confused by whether I should use “pair_style hybrid” for my system, in which
“pair_style lj/cut/tip4p/long” is used for tip4p water molecule and
“pair_style lj/cut/coul/long” for other particles.

Or can I only use the “pair_style lj/cut/tip4p/long” for all the molecules?

you can use lj/cut/tip4p/long for everything. it will act like
lj/cut/coul/long for everything, but interactions involving the two
atom types designated as water oxygen and hydrogen.

axel.