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[ESPResSo] Self-avoiding random walk SAW

From: Mikheil Azatov
Subject: [ESPResSo] Self-avoiding random walk SAW
Date: Thu, 29 Jul 2010 14:54:32 -0400

Hi Espresso users,

I wanted to ask question about self-avoiding random walk. Does anyone know how does it actually work in polymers? After I create all the polymers the minimum distance(calculated with analyze mindist) between monomers is always less then shield value in SAW option.  I know for sure that if I increase number of polymers it fails to put all of them in the simulation box so the algorithm has to check the distances with all other particles, but how does it check them if the minimum distance becomes less then shield ?

Thank you,
Mikheil Azatov,
University of Maryland

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