press

Todo

This command has not yet been ported to the new APBS syntax (see YAML- and JSON-format input files).

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.

Warning

Either this documentation is incorrect or the implementation needs to be changed to use kJ mol^-1 Å^-3 instead of kcal.

Todo

Resolve unit confusion with geometric flow press keyword and the apolar press keyword. Documented in https://github.com/Electrostatics/apbs/issues/499