#box size X in lB BOXX 25 #box size Y in lB BOXY 25 #box size Z in lB BOXZ 25 #Number of polymers or macroions (immobile) NPolymers 1 #Number of beads in each immobile polymer or macroion Ns 1 # polymer or macroion bead diameter (immobile) beaddiameter 10 # polymer or macroion bead separation polymerbeadseparation 0.25 #Polymer or macroion bead charge in e qpolymer 120 #Number of anions (mobile) Nanion 120 # ion diameter (mobile) iondiameter 0.5 #anion charge in e qanion -1.0 #Number of mobile cations Ncation 0 #cation charge qcation 1.0 #Height from surface in lB for immobile molecule 1 z1 12.5 #Height from surface in lB for immobile molecule 2 z2 12.5 #Interpolymer or macroion distance in lB r 0.0 #Initial maximum MC step size in lB (max box size) maxstep 25 # MC step update interval in MC steps stepupdateinterval 10000 # energy and force printout interval in MC steps printoutinterval 10 # gro-file printout interval in MC steps groprintoutinterval 500 # Initial steps to be disregarded in MC steps RELAXATIONSTEPS 0 # Ewald alpha parameter (do not change) Ealpha 0.4 # Ewald real space cut-off Rcut (do not change unless smaller box) Rcut 7.5 # Ewald reciprocal space cut-off (do not change) EwaldK 8 #surface charge (if the system has a substrate) sigma 0 #delta epsilon (substrate image charge screening factor)// (es-e0)/(es+e0) IMCHRGSCR 0