[gmx-users] genion

Alexander Alexander alexanderwien2k at gmail.com
Mon Aug 15 10:43:06 CEST 2016

Hi Farzaneh,

If I am not entirely wrong;
Otherwise, the tiny amount of charge in a single box would be huge in the
calculation because of PBC(periodic boundary condition) and a coulomb
explosion would happen.


On Mon, Aug 15, 2016 at 10:11 AM, <f.namazifar at sci.ui.ac.ir> wrote:

> Hi every body;
> Why we should neutralise net charge of the simulation system?
> Regards.
> Farzaneh
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