[gmx-developers] A question about dielectric constant

[David van der Spoel]

On 2014-10-24 05:46, 刘凤海 wrote:
> Dear Everyone:
>        I have done many simulations. But I found when I add direct
> electric field along x(y or z) axis for a 100ps~2ns simulation with
> strength 0.0003V/nm~3V/nm, the dielectric constant  become bigger than
> 0V/nm. I have set the *epsilon-r =0.   I want to know why? I beg your
> pardon? Even I use the example in
> http://www.baidu.com/link?url=AqAoJrMvTNF8TEDLInoLj2ySsz4cr0g4ee6kHbHD6H5EwQnlSAJXyHvcdZHUBvTa_KhaXl6nuQEKVVEja-dD99JFUa7XMSqQLiLh88fsnuIS8SvtYmZhakix3bGqgzRm&ie=utf-8&f=8&tn=baidu&wd=gromacs%20tutial&inputT=2426.*
> **
> * Best wishes,your sincerely*
>
>
>
>
This is user question, and I am not sure what you mean. You apply an 
electric field, and now want to compute what? The dielectric constant?

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se