[gmx-users] potential profile with PBC
nedomacho at gmail.com
Wed Jan 17 23:49:27 CET 2018
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:
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
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