[gmx-users] Electric fields in gromacs

[David van der Spoel]

On 05/09/14 05:09, 刘凤海 wrote:
> Dear Dr. Spoel
>
> I am sorry if I disturb you. I am a Ph.D student with a great interest
> in gromacs. I have just read one of Niall J English's papers titled
> "Nonequilibrium molecular dynamics study of electric and low-frequency
> microwave fields on hen egg white lysozyme.", and I am impressed by his
> excellent work about external microwave field using Gromacs.
>
>   I want to know if it is possible to implement electromagnetic field
> with Gromacs?. Would you be kind enough to give me some advice or
> conduct? I will be very grateful to you. Thanks in advance.
>
> Yours sincerely, Andy Law
>
> Best regards!
>
>
>
>
Yes.
http://onlinelibrary.wiley.com/doi/10.1002/anie.200703987/abstract

and see here
http://manual.gromacs.org/current/online/mdp_opt.html#ef

please put further question on gmx-users list.

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se