[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ESPResSo-users] Non neutral charged system

From: Salvador H-V
Subject: [ESPResSo-users] Non neutral charged system
Date: Sat, 10 Mar 2012 12:13:09 -0600

Hi Everybody,

I am performing the tutorial simulations concerning electrostatics.
I found in the pearl necklace tutorial  the following commands:

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,


reply via email to

[Prev in Thread] Current Thread [Next in Thread]