#box size X in lB BOXX 10 #box size Y in lB BOXY 10 #box size Z in lB BOXZ 10 #Number of polymers or macroions NPolymers 1 #Number of beads in each immobile polymer or macroion Ns 40 # polymer or macroion bead diameter (immobile) beaddiameter 0.5 # polymer or macroion bead separation polymerbeadseparation 0.25 #Polymer or macroion bead charge in e qpolymer 0.5 #Number of mobile anions Nanion 20 #anion charge in e qanion -1.0 #Number of mobile cations Ncation 0 #cation charge qcation 1.0 # ion diameter (mobile) iondiameter 0.25 #Height from surface in lB for immobile molecule 1 z1 5 #Height from surface in lB for immobile molecule 2 z2 5 #Interpolymer or macroion distance in lB r 0.0 #Initial maximum MC step size in lB (max box size) maxstep 10 # MC step update interval in MC steps stepupdateinterval 10000 # energy and force printout interval in MC steps printoutinterval 100 # gro-file printout interval in MC steps groprintoutinterval 500 # Initial MC steps to be disregarded in the analysis and data collection RELAXATIONSTEPS 0 # Ewald alpha parameter Ealpha 0.4 # Ewald real space cut-off Rcut Rcut 5 # Ewald reciprocal space cut-off EwaldK 8 #surface charge sigma 0 #delta epsilon (image charge screening factor)// (es-e0)/(es+e0) IMCHRGSCR 0