|Subject:||Re: [ESPResSo-users] Optimization of box length|
|Date:||Wed, 06 Apr 2016 11:03:16 +0300|
Thank you for your reply. So that means the cell should have the length which is at least (particle diameter + 3*interaction in its both side i.e. left and right)?
On Wed, Apr 6, 2016 at 1:03 PM, Salim Maduar <address@hidden> wrote:Hi, Samanta
For the purposes of domain decomposition the simulation cell should have at least 3*interaction ranges in each dimension.
If your goal is to confine your system in a narrow region you can you use wall constraints.
The particles should be setup between two wall constraints.
06.04.2016, 10:22, "Nairhita Samanta" <address@hidden>:
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.
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