[gmx-users] Re: dielectric permittivity
spoel at xray.bmc.uu.se
Mon Jul 25 21:15:02 CEST 2005
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
> VCoulomb(rij) =(qi*qj)/(4*pi*e0*er*rij),
> Where can I change er?(I hope its not in the .mdp file
Yes. in the mdp file.
Be warned that your system will explode or implode.
> Any suggestions?
> Thanks in advance!
> Best Regards,
> 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 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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