IMPLICIT_SOLVENT_APOLAR_FACTOR (.param)
Keyword type
Real
Description
This keyword specifies the scaling factor for apolar terms in the solvation model. The default value gives excellent results for hydrocarbons in water. It gives good results for other solutes in water, almost universally improving on results obtained without the dispersion-repulsion term. The expected accuracy for other solvents is lower, but still it is worthwhile including.
Default
0.281075 (dimensionless)
Example
IMPLICIT_SOLVENT_APOLAR_FACTOR : 0.5