[gmx-users] wall problem

[Justin Lemkul]

On 2/4/14, 2:58 AM, Albert wrote:
> Thanks a lot for such helpful suggestions.
>
> I am struggled to the question how to add a vacuum layer to the system.
> Unfortunately I didn't find any tutorial or detailed thread on this topic. Does
> any body have any suggestions?
>

Elongate the box in the z-dimension and set its compressibility to zero in the 
.mdp file.  This issue was discussed at length just a few days ago.  Beware 
possible ordering artifacts of the interfaces.

-Justin

> thank you very much.
>
> Albert
>
> On 01/31/2014 06:10 PM, Thomas Piggot wrote:
>> I cannot provide help regarding the walls, but I just wanted to say that you
>> should be aware that there are several other ways to achieve what you are
>> trying to do. I think creating a 'vacuum layer' has already been suggested to
>> you before, but another possibility is the use of a double membrane system.
>> Depending upon your needs, either of these two may be easier for you to setup.
>>
>> Cheers
>>
>> Tom
>

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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