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[ESPResSo] Beginning to use espressso

From: C. G. Jesudason
Subject: [ESPResSo] Beginning to use espressso
Date: Thu, 26 Jul 2007 11:42:35 +0200
User-agent: Thunderbird (X11/20061008)

I would like the following clarification :
1) In Section 1.4 of ug.pdf you did state the following Reduced units
• comparison to “real units”
• three examples on different length scales
– some atomistic model?
– coarse-grained model (e.g.lipid bilayer)
– billards?
but absolutely no writeup on this so far . Since reduced unit s are dependent on the way you define them, you must include this topic in all its details (connecting the scaling of electrostatic to the LJ energies, and the connection to the time step parameter as well if people are to know precisely how to use your program. Another point is the Langevin thermostat; I could not find proper references to this; please include a description of this and the friction constant that you use with it.
thank you.

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