Which GROMACS 2022 patch release are you using? The error was changed to a warning in 2022.2.
Does this thread help at all, Excluded distance larger than cutoff in ligand with virtual site?
Which GROMACS 2022 patch release are you using? The error was changed to a warning in 2022.2.
Does this thread help at all, Excluded distance larger than cutoff in ligand with virtual site?