RE: [gmx-users] PBC only in xy direction

2008-12-11 Thread Berk Hess
t;> 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: [EMAIL PROTECTED] > >>> To: gmx-us

Re: [gmx-users] PBC only in xy direction

2008-12-11 Thread moura
t; 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

Re: [gmx-users] PBC only in xy direction

2008-12-11 Thread Andrei Neamtu
e: Thu, 11 Dec 2008 10:30:55 +0100 >> From: [EMAIL PROTECTED] >> To: gmx-users@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

[gmx-users] PBC only in xy direction

2008-12-11 Thread Michael Brunsteiner
Andrea Muntean wrote: > 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. I don't think this is implemented in 3.3.3 ... but you can just make the box length in the z-dimen

Re: [gmx-users] PBC only in xy direction

2008-12-11 Thread Andrea Muntean
vacuum > in between the periodic images in z. > > Berk > >> Date: Thu, 11 Dec 2008 10:30:55 +0100 >> From: [EMAIL PROTECTED] >> To: gmx-users@gromacs.org >> Subject: [gmx-users] PBC only in xy direction >> >> Hi gmx-users, >> >> We are using t

RE: [gmx-users] PBC only in xy direction

2008-12-11 Thread Berk Hess
omacs.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

[gmx-users] PBC only in xy direction

2008-12-11 Thread Andrea Muntean
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 ___ gmx-users mailing lis