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swin

apbs.input_file.calculate

Note

Some instances of this keyword have been moved to the new APBS syntax (see new_input_format):

  • For finite difference calculations, see finite_difference.FiniteDifference.surface_spline_window
  • For finite element calculations, see finite_element.FiniteElement.surface_spline_window

move other instances of this keyword to the new syntax

Specify the size of the support (i.e., the rate of change) for spline-based surface definitions (see elecsrfm). The syntax is:

swin {win}

where win is a floating point number for the spline window width (in Å). Usually 0.3 Å.

Note that, per the analysis of Nina, Im, and Roux (article)</a>, the force field parameters (radii) generally need to be adjusted if the spline window is changed.