[ESPResSo] basic details:

[Christopher Jesudason]

Hi,
I would like the following clarification :
1) In Section 1.4 of ug.pdf you did state the
following Reduced units
(new) 
• 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 units are dependent on the way you define them
in the program , 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.
Chris


Christopher G. Jesudason
M003,Chemistry Department,
University of Malaya
50603 Kuala Lumpur
Fax:(603)-759-4193
Tel:(603)759-4270(Office)(603)759-3664(House)
University email: address@hidden


       
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