Note
.. currentmodule:: apbs.input_file.calculate
This command has been ported to the new APBS syntax (see :ref:`new_input_format`); see:
- General information about this object: :class:`generic.MobileIons` for more information.
- Boundary element implementation: :func:`boundary_element.BoundaryElement.ions`.
- Finite difference implementation: :func:`finite_difference.FiniteDifference.ions`.
- Finite element implementation: :func:`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)