Does anyone have experience with the use of the new 'Solvation Free Energy' task of Forcite.

I have the following issue with adding the solute.

The way outlined in the tutorial to 'add' the solute molecule is to select it and use: Solvation Free Energy -> More -> Solute Atoms -> Add. This adds the atoms to the 'SoluteAtoms' set.

This is very inconvenient because it is hard to find a solute molecule and select it among the many solvent molecules.

A more convenient procedure would be to use a pattern (Edit -> Find Patterns) and define the 'SoluteAtoms' set in this way.

Strangely enough if I do that I get 'Unable to run free energy task: no set atoms' when running the task.

My current workaround is to use a pattern and define a set. Next, I stare at the screen until I find the yellow dots. When I find them I zoom in, use the right mouse button and 'Select Molecule Sketch ...'. Now I have selected the atoms and can 'Add' them using Solvation Free Energy -> More -> Solute Atoms -> Add.

Does anyone know how to define a set 'SoluteAtoms' by using e.g. patterns in a more convenient way?