[lammps-users] question about ewald

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1

Hi,

In Gromacs there is a parameter epsilon_surface, I want to know which parameter is in correspondence to it in LAMMPS.

Thanks.

#### epsilon_surface: (0)
This controls the dipole correction to the Ewald summation in 3d. The default value of zero means it is turned off. Turn it on by setting it to the value of the relative permittivity of the imaginary surface around your infinite system. Be careful - you shouldn't use this if you have free mobile charges in your system. This value does not affect the slab 3 Dielectric constant variant of the long range corrections.
2

Hi,

In Gromacs there is a parameter epsilon_surface, I want to know which
parameter is in correspondence to it in LAMMPS.

there is none. you almost always don't want to use it, anyways.
its main use is for studying dielectric properties of dipolar
molecular fluids (e.g. water).

cheers,
   axel.