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Re: [ESPResSo] About Monte Carlo


From: Olaf Lenz
Subject: Re: [ESPResSo] About Monte Carlo
Date: Thu, 18 Mar 2010 08:43:52 +0100
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Hello!

On 03/18/2010 04:31 AM, Ahmad A. J. Agung wrote:
> I read the Espresso's paper, Hans-Jörg Limbach, Axel Arnold, Bernward A.
> Mann and Christian Holm. "ESPResSo - An Extensible Simulation Package
> for Research on Soft Matter Systems". /Comput. Phys. Commun. 174(9)/
> (704-727), 2006;
> 
> The paper mentioned about Monte Carlo simulation in ESPResSo. 

Unfortunately, ESPResSo never really got any further than to wish that
it will at some time support MC, and to provide the structures so that
it would be possible in principle. There is no code in ESPResSo that
does any MC.
Of course, in principle it is possible to do certain kinds of hybrid
MC/MD -simulations by using the Tcl interface, for example you could do
MC volume moves to get a constant pressure ensemble, but ESPResSo itself
does not provide anything yet.

> By the way, I thank so much for you having provide the great code.

Thanks for this! It is nice to hear some praise for the code, as usually
on a mailing list, people only complain about the problems they have...

Best regards
        Olaf

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