lrpbe¶
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 linear 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.