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Re: [ESPResSo-users] Optimization of box length

From: Salim Maduar
Subject: Re: [ESPResSo-users] Optimization of box length
Date: Wed, 06 Apr 2016 10:33:18 +0300

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.

Best regards,

06.04.2016, 10:22, "Nairhita Samanta" <address@hidden>:

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.



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