This repository contains the parameters for the generalized Born (GB)
solvation model with solvent accessible surface area (SASA), as
used in the xtb
program,
the DFTB module of AMS and
the DFTB+ program package.
The parameters are read in from xtb
in plain text assuming the following format
<real> # Dielectric constant
<real> # Molecular mass of the solvent molecule in g·mol⁻¹
<real> # Mass density of neat solvent in kg/L
<real> # Scaling factor for the Born radii in Ångström
<real> # Probe radius of the solvent in Ångström
<real> # Shift to the total energy in kcal/mol
<real> # Born offset parameter in 0.1·Ångström
<real> # Dummy, not used
94 * <real> <real> <real> # Surface tension, Descreening value, H-bond strength