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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