hi Dear GMX users, I use of GMXPBSA tool 2.1, I want to calculate free energy for protein-ligand complex. I used the following parameters in my mdp file in MD simulation step: cut-off scheme = Verlet but when I run gmxpbsa0.sh, I get following error: Fatal error: OpenMP threads have been requested with cut-off scheme Group, but these are only supported with cut-off scheme Verlet please help meI sincerely thank you -- Gromacs Users mailing list
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