Re: [ESPResSo] Restarting a simulation with clusters of particles

[Olaf Lenz]

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Hi!

Lorenzo Isella wrote:
> I save what I call unfolded positions of the particles (which are
> outside the box) and use them as an input for simulations 2 (which has
> the same periodic box as computational domain).
> Well, in this case I see an unphysical fragmentation of the aggregate
> ever since the beginning of simulation 2.
> However, if I start simulation 2 with the same output of simulation 1,
> but this time folded inside the box, then everything goes fine.

This is strange. As far as I understand, both versions should do the
same - if you set the system size before setting the particle coordinates.

The fragmentation you refer to, does that mean that the coordinates of
the particles in sim 2 are modified directly after you load them? Or
only after the simulation ran for a while? Or when does the
fragmentation occur?

Olaf
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