; 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    ; Energy step size
nsteps	   	= 50      ; Maximum number of (minimization) steps to perform

; Parameters describing how to find the neighbors of each atom and how to calculate the interactions
nstlist		  = 1		    ; Frequency to update the neighbor list and long range forces
ns_type		  = grid  	; Method to determine neighbor list (simple, grid)
rlist		    = 1.0	  	; Cut-off for making neighbor list (short range forces)
coulombtype	= PME		  ; Treatment of long range electrostatic interactions
rcoulomb	  = 1.0		  ; Short-range electrostatic cut-off
rvdw		    = 1.0		  ; Short-range Van der Waals cut-off
pbc		      = xyz 	  ; Periodic Boundary Conditions (yes/no)
