apbs.input_file.calculate.nonpolar
Note
This command has been ported to the new APBS syntax (see new_input_format
): see Nonpolar.surface_tension
for more information.
This keyword specifies the surface tension coefficient for apolar solvation models.
gamma { value }
where value
is a floating point number designating the surface tension in units of kJ mol-1 Å-2. This term can be set to zero to eliminate the SASA (solvent-accessible surface area)
contributions to the apolar solvation calculations.
Resolve unit confusion with geometric flow gamma
keyword. https://github.com/Electrostatics/apbs/issues/490