[gmx-users] voltage for membrane?

[Martin Hoefling]

Am 23.12.2012 21:05, schrieb Peter Lai:

You can have a look at http://www.ncbi.nlm.nih.gov/pubmed/21843471 ,
maybe that does what you want.

Best

Martin

> 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.