dipole moment

Dear Lammps Users,

I would like to calculate the dipole moment for SPC/E water.

If I use SHAKE algorithm to keep the water molecules rigid, is that possible to calculate the dipole moment by Lammps?

Thank you very much for any suggestion.

Liyi

Sorry, I figured it out.

Thank you

liyi

liyi bai <[email protected]…24…> 于2019年4月12日周五 下午6:16写道: