[gmx-users] PBC screw

[Oliver Stueker]

Hi,

please someone correct me if I'm wrong,
but the equivalent of Gromacs 3.3.x :

pbc = full

is

pbc = xyz
periodic_molecules = yes

 since Gromacs 4.0.

Oliver

http://manual.gromacs.org/current/online/mdp_opt.html#nl

On Thu, Dec 3, 2009 at 08:22, Eudes Fileti <fileti at ufabc.edu.br> wrote:
> Hello,
> grompp 4.0.5 gave me the following error message.
> ERROR: invalid enum 'full' for variable pbc, using 'xyz'
> Next time use one of: 'xyz' 'no' 'xy' 'screw'
> Could someone tell me what does the "screw" option?
> I cant find it into paper and online manual, as well as at the gmx-list.
> bests
> eef