I am performing the tutorial simulations concerning electrostatics.
# SET UP THE POLYELECTROLYTES
polymer $num_polymers $num_monomers_per_polymer 1.0 charge 1.0 distance 3 types 0 1 bond 0
counterions [expr $num_polymers*$num_monomers_per_polymer] charge -1.0 type 2
If I understood well the user guide, the polyelectrolyte is only partially charged, but, we are placing a number of counterions equal
to a full charged polyelectrolyte. This means that the system has not a neutral charge
However when I run the simulation, ESPResSo does not complain about not charge neutrality. So, I was wondering how EXPResSo handles no neutral charged systems.
Thanks a lot in advance,
Salvador