gamma — APBS-PDB2PQR 1.6 documentation

# gamma

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 kcal mol-1 Å-2. This term can be set to zero to eliminate the SASA contributions to the apolar solvation calculations.

Warning

Either this documentation is incorrect or the implementation needs to be changed to use kJ mol-1 Å-2 instead of kcal.

Todo

Resolve unit confusion with geometric flow gamma keyword. https://github.com/Electrostatics/apbs-pdb2pqr/issues/490