temperature "coupling coefficient" in NAMD

From: curcio (r.curcio_at_bioc.unizh.ch)
Date: Fri Nov 18 2005 - 11:09:13 CST


I have a question about the temperature coupling method as implemented in
In general to use this method the desired temperature has to be specified
along with something like a coupling time and it is about the latter that I
have a question.
According to the NAMD user's guide it is possible to specify a "coupling
coefficient" in one of the usual columns of a pdb-file but nothing is said
there what this "coupling coefficient" is nor its unit is given (ps? 1/ps?).
Does anyone know what I have to put in the pdb-file (any column) if I want to
use a coupling time of say 5ps (for all atoms)? Is it simply 5.00?

Thanks very much.


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