[gmx-users] How are the clusters of particles created?

Mark Abraham mark.j.abraham at gmail.com
Fri Sep 19 13:23:26 CEST 2014


Hi,

Gridding the particles in x and y, and then binning in z. See Fig 2 and
text of http://www.sciencedirect.com/science/article/pii/S0010465513001975

Mark

On Fri, Sep 19, 2014 at 4:54 AM, Theodore Si <sjyzhxw at gmail.com> wrote:

> Hi all,
>
> In the page 34 of the manual:
> The Verlet cut-off scheme is implemented in a very efficient fashion based
> on clusters of particles.
> The simplest example is a cluster size of 4 particles. The pair list is
> then constructed based on
> cluster pairs.
> I want to know on what condition will 4 particles be put in a cluster? Can
> you explain the algorithm in a simple manner?
>
> BR,
> Theo
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