[gmx-users] Electric field: phosphate moves in the wrong direction

Susana Tomasio susietomasio at gmail.com
Wed Nov 24 15:46:37 CET 2010


Dear users,

I am applying an Electric Field along the z-axis to a system comprising a
protein nanopore and a PO4- in order to see if gets into the pore.
In some of the simulations the phosphate doesn't move on the opposite
direction of the applied field but in the same direction!
I wonder if anyone has experienced this behaviour and if you have any
suggestions.
What I can think of, is that the box might not be big enough, but I am not
sure if that's the only reason.
Thank you in advance,
Susana
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