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

David van der Spoel spoel at xray.bmc.uu.se
Fri Apr 6 10:42:02 CEST 2012



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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> 
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