[gmx-users] electric field

[Erik Marklund]

Dear Maryam,

You can make use of mdrun's -field option, and inspect its output. I have had situations where a static field hasn’t worked the way I expected it to, so it is generally a good idea to check just to be sure. It is usually enough to just run the simulation for a few steps, inspect the reported field strength, and restart without the field option to save diskspace.

Kind regards,
Erik

> On 15 Nov 2015, at 19:28, Maryam Kowsar <maryam.kowsar at gmail.com> wrote:
> 
> Dear users,
> 
> I applied electric fields of different magnitudes (less than 1 v/nm since
> higher amounts are avoided) in my system. I have some charged water
> molecules and I expected to see very different results when the magnitude
> is changed, but haven't got that much difference. How can I be sure that
> electric fields worked?
> I found the following link that it changed the code of electric field
> according to the shape of the system:
> http://www.gromacs.org/Developer_Zone/Programming_Guide/Patching_mdrun
> Can the current implemented code in gromacs be applied for all systems or
> should I change it for different systems?
> 
> Thanks!
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