ions.mdp

integrator	= steep		; Algorithm
emtol		= 1000.0  	; Max force < 1000.0 kJ/mol/nm
emstep      = 0.01      ; Energy step size
nsteps		= 50000	  	; Max N of steps

; Interactions
nstlist		    = 1		    ; Neighbor list and long range forces udpatete frequency
cutoff-scheme   = Verlet
ns_type		    = grid		; Method to determine neighbor list (simple, grid)
coulombtype	    = PME		; Long range electrostatic interactions
rcoulomb	    = 1.2		; Short-range electrostatic cut-off
rvdw		    = 1.2		; Short-range VdW cut-off
pbc		        = xyz 		; Periodic Boundary Conditions