unitsΒΆ
Specify the units for energy/force/potential output in PB-(S)AM calculations:
units {flag}
where flag specifies the unit system:
- kcalmol
- kcal/mol
- jmol
- J/mol
- kT
- kT
Force units will be energy units/Angstrom and potential units will be energy units/electron.
Todo
It would be great to use the same units everywhere in APBS. Documented in https://github.com/Electrostatics/apbs-pdb2pqr/issues/485