[gmx-users] A question about the dilectric constant of water

[David]

On Wed, 2004-04-21 at 20:25, Jun Qian wrote:
> hi,all! I am new gromacs user. I used gromacs with SPC water model(216
> molecules) and nothing else in the simulation object. Without electric
> field, dilectric constant is equal to 3.8 after about 200ps. When An
> electric field 1 V/nm was applied, dielectric constant of water is 3.7
> after 200ps. Both 3.8 and 3.7 are much smaller than real water dielectric
> contant 80.
> 
> Anybody has any idea, thank you in advance!
you need to apply a reaction field or use PME. Check manual and some
literature. There are tons of papers on this stuff.
> 
> Jun
> 
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++