[gmx-users] PBC only in xy direction

[Andrei Neamtu]

Hi,

How is it possible a vacuum layer be maintained without solvent
evaporation? (in absence of few solvent layers positionally restrained
or in absence of walls which work only in pbc=xy)

Andrei
(maybe the question is trivial but I cannot figure out the answer)


On Thu, Dec 11, 2008 at 11:50 AM, Berk Hess <gmx3 at hotmail.com> wrote:
> Hi,
>
> This is not possible in 3.3.
>
> But in practice you almost never need this,
> since it is far more efficient to use pbc=xyz and have a slab of vacuum
> in between the periodic images in z.
>
> Berk
>
>> Date: Thu, 11 Dec 2008 10:30:55 +0100
>> From: andreamuntean at gmail.com
>> To: gmx-users at gromacs.org
>> Subject: [gmx-users] PBC only in xy direction
>>
>> Hi gmx-users,
>>
>> We are using the version 3.3.3. Is there also a posibility to have pbc
>> only in xy direction (as I saw it is possible in Gromacs 4.0)? The
>> manual says nothing about that.
>>
>> Thank you in advance.
>>
>> Best regards,
>> Andrea
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