[gmx-users] Time-Dependent Electric Field

[Erik Marklund]

 From the manual it seems that oscillating electric fields are not yet  
implemented, which surprised me. I've seen colleagues use such in  
gromacs, but that may have been in-house modifications. Should be  
fairly simple to implement though.

Erik

On Mar 4, 2013, at 11:30 PM, raquick wrote:

> Gromacs users,
>
> I am trying to run a simulation with a time dependent electric field  
> with
> frequency of around 16 GHz in the Z direction. What numbers should I  
> put in
> the .mdp file following E-zt: for a field with this frequency? I  
> have looked
> at the source code but cannot determine what units the frequency  
> should be
> in.
>
> Currently, for electric Field I have the following:
>
> E-z     = 1              .5               1
> E-zt    = 1     (some number)     0
>
> I want to know what the "some number" should look like.
>
> Any help is appreciated.
>
> Regards,
>
> Ross Quick
>
>
>
> --
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