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

Viswanadham Sridhara muta.mestri at gmail.com
Wed Mar 1 20:04:33 CET 2006


Hi David,
you mean time dependent field is already implemented in the latest version?
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> 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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> >
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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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--
Viswanadham Sridhara,
Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
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