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!