pdie

Note

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

• Boundary element Poisson-Boltzmann calculations: see boundary_element.BoundaryElement.solute_dielectric() for more information.
• Finite difference Poisson-Boltzmann calculations: see finite_difference.FiniteDifference.solute_dielectric() for more information.
• Finite element Poisson-Boltzmann calculations: see finite_element.FiniteElement.solute_dielectric() for more information.

Specify the dielectric constant of the solute molecule. The syntax is:

pdie {diel}

where diel is the floating point value of the unitless biomolecular dielectric constant. This is usually a value between 2 to 20, where lower values consider only electronic polarization and higher values consider additional polarization due to intramolecular motion. The dielectric value must be \(\ge 1\).