[gmx-users] multiple electric fields

Alex nedomacho at gmail.com
Fri Oct 26 07:46:05 CEST 2018

As expected, multiple instances of a given component are not accepted by 
Gromacs. Is there anything that can be done? Can the functional form be 
extended to the current form + constant offset?

The use scenario is very simple: photosensitive solid-state ion 
channels. It is that relatively rare instance when there is no chemical 
reaction that results in photosensitivity, so one needs a constant 
driving field and an additional sinusoidal wave. We can set this up with 
LAMMPS, but our timescales will drop by a factor of five... Anyone?



On 10/25/2018 1:08 PM, Alex wrote:
> Hi all,
> Is it possible to have an electric field of the form described here: 
> http://manual.gromacs.org/documentation/2018.1/user-guide/mdp-options.html#mdp-electric-field-x%20;%20electric-field-y%20;%20electric-field-z
> but with a constant component?
> In other words, for a given component (x,y, or z): E0_1 + 
> E0_2*something-sinusoidal? For instance, can we have multiple 
> 'electric-field-z' statements, each describing the desired portion?
> Thanks,
> Alex

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