How to simulate the eletrostatic quadrupole interaction between carbon and water?(R)

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#1

Dear lammps uses,

Now I’m trying to simulate the interaction between carbon and water. There is an eletrostatic quadrupole interaction between the carbon atoms and the partial charges
on the water hydrogen and oxygen atoms in the form of [1]
![_)5R$BH]GT)[email protected]…866…jpg|293x67.

Is there any command in “pair_style” that can directly do this?

I’m looking forward to having your help.
Best wishes
Ruo-Yu Dong

[1]J. H. Walther, R. Jaffe, T. Halicioglu, and P. Koumoutsakos, Carbon Nanotubes in Water: Structural Characteristics and Energetics, J. Phys. Chem. B, 2001,105, 9980-9987.

#2

No. There is no automatic way to handle this.

Axel