[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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