[gmx-users] the direction of Electric fields in GROMACS?

David van der Spoel spoel at xray.bmc.uu.se
Mon May 31 18:37:56 CEST 2010


On 5/31/10 6:21 PM, zhongjin wrote:
> Dear users,
>        What's about the direction of Electric fields in GROMACS? For 
> example, E_z 1 0.01 5
> means that the direction of Electric fields is along the +Z axis ? So 
> K+ will move along the +Z axis ?
> E_z 1 -0.01 5 means that the direction of Electric fields is along the 
> -Z axis ? So Cl- will move along
> the -Z axis ?
> Anybody knows the answer? Please tell me. Thanks a lot !
> He Zhongjin
> 2010-6-1
>
>
>
I think this is correct. You might want to try this in an empty box with 
just 1 K+ and one CL-
(in vacuum that is, no water).

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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