[gmx-users] multiple electric fields
David van der Spoel
spoel at xray.bmc.uu.se
Sat Oct 27 12:15:11 CEST 2018
Den 2018-10-26 kl. 07:46, skrev Alex:
> 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?
I would propose you add the constant in the code for now and work with
it. If it works well please upload a redmine issues with a feture request.
You literally have to add somewhere
field = field + c
> On 10/25/2018 1:08 PM, Alex wrote:
>> Hi all,
>> Is it possible to have an electric field of the form described here:
>> 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?
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
More information about the gromacs.org_gmx-users