[gmx-users] clustering and representative structure

Carlos Javier Nuñez Aguero carlosjn at ce.fis.unam.mx
Sun Feb 4 17:37:28 CET 2007

Hi all,
How are you?

In Gromacs, the clustering methods are:

o Full linkage
o Jarvis Patrick
o Monte Carlo
o Diagonalization, and
o Gromos

---- what is the most cited method?
---- what option generate "the most representative structure"?
        all the strategies? why?
       (not the average geometry)
---- where I can read more (or where I can find specific information) 
about of
       every methodology of clustering?
       links, papers, etc? (moreover of the manual or online or html help).

Carlos Javier

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