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press

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