[gmx-users] Electric Field in part of the system

[David van der Spoel]

Viswanadham Sridhara wrote:
> Hi David,
> you mean time dependent field is already implemented in the latest version?

that's correct. please check the source code in 3.3 (src/mdlib/sim_util.c)
I will also update the manual if necessary.

> I am still using the older version of Gromacs, I have to update it if it 
> is implemented in the latest version.!
> Thanks,
> -Viswanadham
> 
> On 3/1/06, *David van der Spoel* <spoel at xray.bmc.uu.se 
> <mailto:spoel at xray.bmc.uu.se>> wrote:
> 
>     Shafrir, Yinon (NIH/NCI) [F] wrote:
>      > Hi there!
>      >
>      >
>      >
>      > I was wondering if one can apply an electric field in only parts
>     of the
>      > system, say between two parallel planes  z0<z<z1 that are in the
>     middle
>      > of the box.
>      >
>      > Any ideas?
>     Doesn't work, butis easy to hack: src/mdlib/sim_util.c
>      >
>      > How about a time dependent field?
>     Is already implemented.
> 
>      >
>      >
>      >
>      > Sincerely
>      >
>      > Yinon
>      >
>      >
>      >
>      >
>      >
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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
>     <mailto:spoel at xray.bmc.uu.se>    spoel at gromacs.org
>     <mailto:spoel at gromacs.org>   http://folding.bmc.uu.se
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> 
> 
> 
> -- 
> Viswanadham Sridhara,
> Graduate Research Assistant,
> Old Dominion University, "VIRGINIA".
> 
> 
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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://folding.bmc.uu.se
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