[gmx-users] gmx potential

[Alex]

Also, here is a message for the authors of the documentation:

*-[no]spherical*(no)

    Calculate spherical thingie

Come on, guys. :)

Alex


On 3/21/2018 1:24 PM, Alex wrote:
>
> 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
>>
>>
>>
>>
>>
>