Description
SM1 is no longer available and SM5.2,
SM5.2R,
SM5C, or
SM5CR should be used instead.
This keyword activates one of the AMSOL models contributed by D.G. Truhlar, C.J. Cramer,
and G.C. Lynch. See Chapter 15, AMSOL Model Module for a more complete
description of the AMSOL methods and additional dedicated keywords. By using both SM1 and AM1,
the user requests a calculation in aqueous solution by the AM1-SM1 method. The actual
quantities reported are the gaseous heat of formation as predicted by AM1, the aqueous free
energy of solvation, and the electronic energy plus the aqueous free energy of solvation. In
SM1 the accessible-surface-area parameters are independent of chemical environment and there
is thus, a unique value of each surface tension for each atom type. Other than including the
SM1 keyword, no modifications need be made to the standard AMPAC
input file.
