[gmx-users] PBC only in xy direction

Andrea Muntean andreamuntean at gmail.com
Thu Dec 11 11:08:19 CET 2008


Hi Berk,

that is a good idea. Thank you for your answer.

Cheers,
Andrea

2008/12/11 Berk Hess <gmx3 at hotmail.com>:
> 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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