units — APBS-PDB2PQR 1.6 documentation

# units

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