MobleyLab / relative-solvation-paper

Paper on reproducibility of relative solvation free energies across packages
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Reviewer 2-Q14: Protocol consistency #54

Closed Steboss closed 6 years ago

Steboss commented 6 years ago

Why were different lambda values employed for GROMACS?

davidlmobley commented 6 years ago

Address with #41

jmichel80 commented 6 years ago

addressed by overall comments on difficulty of making protocols consistent across codes