Ions in Action! Studying ion channels by Computational Electrophysiology
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.. image:: ../images/compEl.jpg

This module allows the detailed study of membrane-embedded ion channels 
(shown in dark blue in the figure) in GROMACS. 
By using an ion/water exchange protocol in a double membrane simulation setup,
combined with an ion concentration and/or charge imbalance across the membrane,
a steady state with a continuous flow of ions through the channels is achieved.
For each channel, the anionic and cationic permeation events are recorded 
in the output file as a function of time.
The permeation events reveal conductance, selectivity, and rectification behaviour,
which allow a straightforward comparison to experiment.
In addition, the ionic pathways through the channels are uncovered.

**References**

#. C. Kutzner, D. Köpfer, J.P. Machtens, B.L. de Groot, C. Song, and U. Zachariae  `doi:10.1016/j.bbamem.2016.02.006 <https://doi.org/10.1016/j.bbamem.2016.02.006>`_

#. C. Kutzner, H. Grubmüller, B.L. de Groot, and U. Zachariae  `doi:10.1016/j.bpj.2011.06.010 <https://doi.org/10.1016/j.bpj.2011.06.010>`_