[gmx-users] voltage for membrane?

[Peter Lai]

Yun Shi <yunshi09 at gmail.com> wrote:

>Interesting. Would that be like adding sodium chloride on one side of
>the membrane while adding only potassium on the other side?
>
>On Sun, Dec 23, 2012 at 8:37 AM, Peter Lai <pcl at uab.edu> wrote:
>> Albert <mailmd2011 at gmail.com> wrote:
>>
>>>Dear all:
>>>
>>>   As we know that many membrane has a membrane potential with
>typical
>>>range from -40mV to 80mV. I am just wondering is it possible to add
>>>voltage for membrane protein simulation in Gromacs? If yes, and how?
>I
>>>go through the .mdp documentation and don't find anything concerning
>on
>>>
>>>this.
>>>
>>>THX
>>>Albert
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>>
>> you will have to decide what voltage across the membrane means and
>how it is maintained in reality and then decide whether it is important
>or not to your system and how simplified a model is acceptable for you.
>the manual suggests there is code to apply a constant electric field to
>the system.
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well that's certainly a start. there is someone on this list who has done ion channel simulations and I believe he has been able to simulate some electrochemical potential measurements as ions flows through a double bilayer with a ion channel in each.
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