[gmx-users] PBC only in xy direction

[moura at ufscar.br]

as far as your forcefield and simulation parameters are consistent with
the liquid state, only a few (if any) solvent molecule should fly away
from the liquid slab.
Andre

> 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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