[gmx-users] Alternating current electric field

[David van der Spoel]

On Fri, 2004-11-19 at 17:33 +0800, xieyh at hkusua.hku.hk wrote:
> Dear gmx users:
> 
>  
> 
> I would like to apply an alternating current (AC) electric field to my
> simulation box. However, nowadays, only direct current (DC) electric field is
> used in Gromacs. Maybe, the application of AC electric field can be realized
> through the modification in ¡K/src/mdlib/sim_util.c file. 
> 
>  
> 
> Anyone knows how to make such a modification? At least, Is that promising for do
> this modification?
It's implemented in cvs, not sure about 3.2.1. Try fiddling with mdp
options.
> 
>  
> 
> Thanks very much
> 
>  
> 
> 
> 
> Hongkong Univ.
> 
> Xie YH 
> 
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
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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