[gmx-users] gmx potential

[Alex]

Two things:

1. We cannot see your attachment, upload to a file share.

2. gmx potential does not reveal the actual potential drop due to 
external electric field itself. What it does instead is described in the 
utility documentation.

Alex


On 3/21/2018 12:42 PM, Shreyas Kaptan wrote:
> Dear GMX users,
>
> I am trying to use the gmx potential tool to calculate the potential
> created by applying a constant electric field in the Z-direction.
>
> I am using the 2018 gromacs version. The electric field was applied with:
>
>
> electric-field-z         = 0.00625 0 0 0; 0.1 V voltage for 160 angstrom Z
> len
>
> When I use the gmx potential (from 2016.1 version) on the result of the
> simulation, I get the attached output.  I am not sure how to interpret the
> result. I expected a 100 V potential drop across the box, but I do not s
> that. Is that an error on part of my interpretation or is there something
> wrong with my setup?
>
> Thanks in advance!
>
> Shreyas
>
>
>
>
>