restrict atoms to cross a boundary

From: Udaya Dahal (
Date: Mon Mar 04 2019 - 13:42:09 CST

Hi Everyone,

I am trying to restrict my ion flow to make specific part of a periodic box
to be charge neutral
Does the boundary potential wall in collective variable should be
sufficient to create a wall only for ions between two chambers of a
simulation box? To be more specific I need to put barrier in the middle of
the box to restrict ions diffusion between to compartments. For that I will
have* two sets of ions* to restrict to.

Thank you !

Udaya Dahal

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