[gmx-users] no atom pairs for dispersion correction

Dear Gromacs users I am running an MD simulation of the protein-ligand complex. At the start of the production run, I am getting this warning. What does it mean and how should I fix it? *WARNING: There are no atom pairs for dispersion correction* Thanks in advance. Sadaf -- Gromacs Users mailin

[gmx-users] "No atom pairs for dispersion correction" Warning from GROMACS 2020 mdrun

Hello All, I am performing a gpu accelerated simulation on a 292683 atom system (a solvated multimeric protein) using the amber99sb-ildn forcefield. Grompp does not throw any errors or warnings. However, mdrun throws the following warning prior to simulation: WARNING: There are no atom pairs