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 (nm)
nsteps      = 50000         ; Maximum number of (minimization) steps to perform
nstlist         = 20        ; Frequency to update the neighbor list and long range forces
cutoff-scheme   = Verlet    ; Buffered neighbor searching
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
rlist           = 1.0       ; Cut-off for making neighbor list
pbc             = xyz       ; Periodic Boundary Conditions in all 3 dimensions