Dear All,

I am curious how to calculate the solvation free energy using QM modules particularly DMol.

Recently, I tried to calculate pKa values of some acids using Dmol. In the case, other thermodynamical properties can be calculated by Dmol.

But, I cannot find the way to calculate the solvation free energy of molecules, particularly for protons.

Since I did calcuated other properties by Dmol, using Forcite only for the solvation energy seems non-sense for me.

Thanks in advance.