nrpbe

Note

Some aspects of this command have been moved to the new APBS syntax (see YAML- and JSON-format input files):

• Finite difference:

  See FiniteDifference.equation() for more information.

Todo

port for other types of calculations.

Specifies that the nonlinear form of the regularized Poisson-Boltzmann equation (RPBE) should be solved. The regularized PBE equation replaces the point charge distribution with the corresponding Green’s function. As a result of this replacement, the solution corresponds to the reaction field instead of the total potential; the total potential can be recovered by adding the appropriate Coulombic terms to the solution. Likewise, this equation immediately yields the solvation energy without the need for reference calculations.

Note

The options lpbe, npbe, lrpbe, nrpbe are mutually exclusive.

Note

This functionality is only available with FEM-based solvers.