[gmx-users] ion flux counter

[Kutzner, Carsten]

> Am 26.09.2019 um 16:24 schrieb Harutyun Sahakyan <sahakyanhk at gmail.com>:
> 
> Dear Gromacs users,
> 
> Computational electrophysiology protocol has some analyzing tools allowing
> to count ion flux etc. I have used an external electric field to simulate
> the process of ion permissions through a membrane channel. How can I count
> ion flux, conductivity or something like that?
If you are not using CompEL, which counts ion permeations on the fly,
I guess you have to write your own analysis scripts operating on the trajectory.

Carsten


> 
> Best wishes,
> Harutyun Sahakyan
> Senior Assistant at Laboratory of
> Computational Modeling of Biological Processes,
> Institute of Molecular Biology, NAS, Armenia, Yerevan
> Tel: +374 93 323990
> h_sahakyan at mb.sci.am
> -- 
> Gromacs Users mailing list
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> 
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> 
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.

--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/grubmueller/kutzner
http://www.mpibpc.mpg.de/grubmueller/sppexa