Hi all,

I have practiced MSLD protocol from the tutorial. From the finished predicted results (table), the relative binding free energies for the ligands are calculated. However, I concern some predicted values. For example, from 1-1, the ligand delta G is positive (4.53), and the complex delta G is positive (4.31) too. This phenomenon was also observed in 1-2, 1-4. Does it mean these ligands and complexes are unstable during simulation? (the energy value is positive) thank you.