[gmx-users] Re: dielectric permittivity

[David]

On Mon, 2005-07-25 at 14:08 -0400, Viswanadham Sridhara wrote:
> 
> 
>         
>         Hi GMX users,
> 
>  
> 
>         I have fairly simple question to ask.
>         If i want to change the relative permittivity (dielectric
>         constant) of the medium, to calculate the coloumb potential
>         i.e.,
>         VCoulomb(rij) =(qi*qj)/(4*pi*e0*er*rij),
>         Where can I change er?(I hope its not in the .mdp file
>         though).
Yes. in the mdp file.

Be warned that your system will explode or implode.

>         Any suggestions?
>         Thanks in advance!
>         
>         Best Regards,
>         -V
> 
> P.S. Sorry about the earlier email, the subject of the email was
> irrelevant to the question I asked, so I sent out the email again with
> changed subject of the email...........
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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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