Re: [ESPResSo] PSAW

[Olaf Lenz]

Hi!

On 10/25/2010 05:43 PM, Mikheil Azatov wrote:
> I wanted to ask question about PSAW. I switched from SAW to PSAW because
> SAW was taking way to much time. The particles are added much faster
> with PSAW but after I start the simulation i get weird results... So i
> was wondering if anyone knows how does PSAW work or can tell me where to
> read about it?

I assume that you refer to the polymer command? You can read about how 
the algorithms work in the User's Guide.

What exactly do you mean by "weird results"? It is true that the chain 
generated with the PSAW algorithm does not really match the SAW 
statistics initially. However, if you do a simulation of the chain, 
these differences should disappear when the system is equilibrated.

Olaf

--
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Pfaffenwaldring 27, D-70569 Stuttgart
Phone: +49-711-685-63607

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