ion

Note

This command has been ported to the new APBS syntax (see YAML- and JSON-format input files); see:

  • General information about this object: generic.MobileIons for more information.

  • Boundary element implementation: boundary_element.BoundaryElement.ions().

  • Finite difference implementation: finite_difference.FiniteDifference.ions().

  • Finite element implementation: finite_element.FiniteElement.ions().

Specify the bulk concentrations of mobile ion species present in the system. This command can be repeated as necessary to specify multiple types of ions; however, only the largest ionic radius is used to determine the ion-accessibility function. The total bulk system of ions must be electroneutral which means the charge densities/concentrations of positive and negative ions must be equal. The syntax is:

ion charge {charge} conc {conc} radius {radius}

where

charge

Mobile ion species charge (floating point number in ec)

conc

Mobile ion species concentration (floating point number in M)

radius

Mobile ion species radius (floating point number in Å)