Error in minimization step

GROMACS version:gmx_mpi 2022

Hello everyone!
How can I solve this error?
ERROR 1 [file min.mdp]:
The largest distance between excluded atoms is 2.556 nm, which is larger
than the cut-off distance. This will lead to missing long-range
corrections in the forces and energies.

This is my mdp file:
; minim.mdp - used as input into grompp to generate em.tpr
; Parameters describing what to do, when to stop and what to save
integrator = steep ; Algorithm (steep = steepest descent minimization)
emtol = 1000.0 ; Stop minimization when the maximum force < 1000.0 kJ/mol/nm
emstep = 0.01 ; Minimization step size
nsteps = 50000 ;

nstlist = 1 ;
cutoff-scheme = Verlet ;
ns_type = grid ;
coulombtype = PME ;
rlist = 1.2
rcoulomb = 1.2 ;
rvdw = 1.2 ;
pbc = xyz ;

Thank you!


This error was changed to a warning in GROMACS 2022.2. If you’re using 2022 or 2022.1, please upgrade your installation.

In short, this problem appears because you have an unnaturally long bond in your system, and it will cause a minor error when calculating non-bonded energy. That is, in most cases, perfectly fine for minimization. However, if you get this error after minimizing the system, then something is definitely wrong.