press — APBS-PDB2PQR 1.6 documentation

# press

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.

Todo

Resolve unit confusion with geometric flow `press` keyword and the apolar press keyword. Documented in https://github.com/Electrostatics/apbs-pdb2pqr/issues/499