[gmx-users] Does electric field be screened by the water ?

Xianwei Wang wangxianwei1228 at 163.com
Fri Apr 6 10:59:13 CEST 2012


Thank you very much! Sorry , solid wall for me is distance between the solute and the box!
Best wishes!

At 2012-04-06 16:42:02,"David van der Spoel" <spoel at xray.bmc.uu.se> wrote:



Op 6 apr 2012 om 10:30 heeft "Xianwei Wang" <wangxianwei1228 at 163.com> het volgende geschreven:


Thank you for your answer! But if electric field was screened by the outside water in the box ,how I decide the size of electric field in the protein when I used "E_x = 1.0 0.71e-2 0" and solute wall distance of 1 nm?
Best wishes!
yours Xianwei Wang





Approximately divided by 80. Don't know what you mean with solid wall. 


At 2012-04-06 14:53:58,"David van der Spoel" <spoel at xray.bmc.uu.se> wrote:



Op 6 apr 2012 om 07:44 heeft "Xianwei Wang" <wangxianwei1228 at 163.com> het volgende geschreven:


Dear gmx users:
     I would like to apply electric field to my simulation box, and I have added these to my input file:
; Format is number of terms (int) and for all terms an amplitude (real) =
; and a phase angle (real) =
E_x             = 1.0 0.71e-2 0
What I want to know is whether the size of this electric field in my protein inside the box will be screened by the water around the protein?



Yes. Water had high epsilon(0)

Best wishes!





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