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[ESPResSo] Bond fluctuation model


From: Kai Grass
Subject: [ESPResSo] Bond fluctuation model
Date: Thu, 17 Jul 2008 15:04:48 +0200

Hi everyone,

I was just asked, if Espresso has been used/is usuable for the bond fluctuation model (I Carmesin, K Kremer - Macromolecules, 1988 - terribly outdated). As it is a MC method, it belongs to parts of Espresso I haven't ventured to. Can anyone point out to me what is doable in terms of MC simulations at the moment? Also, any insight on how much additional effort would be needed to incorporate this "feature" into Espresso?

Thanks a lot,
Kai
--
Dipl. Phys. Kai Grass
Frankfurt Institute for Advanced Studies (FIAS)
Room 2|403
Ruth-Moufang-Strasse 1
60438 Frankfurt am Main
Germany

phone: +49 69 798 47533
fax:   +49 69 798 47611



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