srad

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 polar calculations: see boundary_element.Mesh.solvent_radius() for more information.
• Finite-difference Poisson-Boltzmann polar calculations: see finite_difference.FiniteDifference.solvent_radius() for more information.
• Finite-element Poisson-Boltzmann polar calculations: see finite_element.FiniteElement.solvent_radius() for more information.
• Nonpolar calculations: see nonpolar.Nonpolar.solvent_radius() for more information.

This keyword specifies the radius of the solvent molecules; this parameter is used to define various solvent-related surfaces and volumes (see srfm (elec)). This value is usually set to 1.4 Å for a water-like molecular surface and set to 0 Å for a van der Waals surface. The syntax is:

srad {radius}

where radius is the floating point value of the solvent radius (in Å). This keyword is ignored for srfm spl2 (see srfm (elec)).