Reviewer 2-Q10: Clarify "perturbed group"

MobleyLab / relative-solvation-paper

Paper on reproducibility of relative solvation free energies across packages

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Closed Steboss closed 6 years ago

Steboss commented 6 years ago

What exactly is meant by "perturbed group"? The whole molecules shown in Figure 2 or only atoms that are dummy atoms in one of the end states?

halx commented 6 years ago

I believe I have discussed this somewhere but will check.

halx commented 6 years ago

This is already explained on page 4.