[gmx-users] how to simulate at a specific dielectric constant
David van der Spoel
spoel at xray.bmc.uu.se
Wed Nov 15 08:29:56 CET 2006
nur avneet wrote:
> Dear all
> How can i set the dielectric constant of my choice in the simulations
>
What do you mean?
You can change the solvent, or change the ionic strength.
There is not a simulation parameter that you can change that will
influence the dielectric constant of your system.
--
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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