apbs.input_file.calculate.nonpolar
Note
This command has been ported to the new APBS syntax (see new_input_format
): see Nonpolar.pressue
for more information.
This term specifies the solvent pressure in kJ mol-1 Å-3. This coefficient multiplies the volume term of the apolar model and can be set to zero to eliminate volume contributions to the apolar solvation calculation. The syntax is:
press {value}
where value
is the floating point value of the pressure coefficient in kJ mol-1 Å-3.
Resolve unit confusion with geometric flow press
keyword and the apolar press
keyword. Documented in https://github.com/Electrostatics/apbs/issues/499