[gmx-users] Time-Dependent Electric Field
Erik Marklund
erikm at xray.bmc.uu.se
Tue Mar 5 09:48:10 CET 2013
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
>
>
>
> --
> View this message in context: http://gromacs.5086.n6.nabble.com/Time-Dependent-Electric-Field-tp5006108.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> --
> gmx-users mailing list gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search
> before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users
mailing list