[gmx-users] potential profile with PBC

Alex nedomacho at gmail.com
Thu Jan 18 00:07:51 CET 2018

Okay, ignore my question. :) I really should have looked at the description
of how gmx potential does its job. Switching to -correct fixes the issue,
even if this is somewhat fake.


On Wed, Jan 17, 2018 at 3:49 PM, Alex <nedomacho at gmail.com> wrote:

> Hi all,
> I have a perfectly well-behaved system that consists of a membrane in
> water + ions. Upon plotting the per-slice profiles (ion densities and
> potential: https://www.dropbox.com/s/tl91lg0fu2u5lbc/profiles-1.jpg?dl=0)
> everything looks great with one exception: the potential values are
> different at the boundaries. There are no external fields in the system,
> nothing like that. When choosing the group for the potential calculations,
> i select System.
> This potential difference seems fundamentally wrong, given PBC. Any
> suggestions?
> Thanks,
> Alex

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