Re: [ESPResSo-users] Optimization of box length

[Nairhita Samanta]

Hi Florian!

         Thank you for your reply. I am taking box size>3*r_cut.

 Please find the attached tcl file.

Regards,

Nairhita

On Wed, Apr 6, 2016 at 6:49 PM, Florian Weik <address@hidden> wrote:

Hi,
the boxsize is limited by the largest interaction cutoff (which might also come from the electrostatics tuning, if you are using that) and the skin. If your
box size is smaller than the cutoff plus two times the box size that should work.
If not this is bug, in which case I would kindpy ask you to provide a minimal script to reproduce the error.

Cheers,
Florian

On Apr 6, 2016 09:22, "Nairhita Samanta" <address@hidden> wrote:
>
> Hello all!
>       I wanted to ask if I want to have a simulation box which is not particularly cubic, but with a smaller length in one direction in comparison to other, is it really possible? I tried to set the box_height loser than the other sides, but I cant reduce it after a certain limit. I am not understanding, what sets this optimum height? I feel if it is higher that the particle size and LJ cut, it should be feasible. But that is not the case, it is asking for even higher box-height.
>
> Regards,
> Nairhita

part_rect.tcl
Description: Tcl script