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[lammps-users] TIP4P long range solver
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[lammps-users] TIP4P long range solver


From: Ali Morshedi <morshedi1370@...24...>
Date: Mon, 20 Nov 2017 11:39:48 -0800

Dear lammps-users,

I use TIP4P model of water in my system. For pair style, I'm setting the following;

pair_style hybrid buck/coul/long 8.5 lj/cut/tip4p/long 3 4 2 4 0.1546 8.5

In the doc page for lj/cut/tip4p/long it is written: "style lj/cut/tip4p/long is for use with a long-range Coulombic solver (Ewald or PPPM)."
Is it correct to infer that if I'm using lj/cut/tip4p/long, then "kspace_style ewald 1e-6" will take into account the charge distance from O site in TIP4P?

If so, then why is there a special "pppm/tip4p" to account for long range forces?

I'm using 11Aug17 version of lammps.

Thank you and best regards,

Ali