[gmx-users] indexing largest cluster with g_clustsize

Ran Friedman r.friedman at bioc.uzh.ch
Thu Jul 16 11:33:59 CEST 2009

Hi Dmitri,
It's the last frame - the file is written after all frames are read and
dealt with.
Best regards,

Dmitri Dubov wrote:
> Dear gmx'ers!
> One more question on g_clustsize routine:
> It produces an index file with the atom numbers of largest cluster.
> But how it works in an evaporating system where the number of
> clustered molecules reduces greatly through the trajectory? What frame
> the maxclust.ndx file concerns to?
> -- 
> Regards
>  Dmitri                          mailto:ddubov at ngs.ru
> ------------------------------------------------------------------------
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Ran Friedman
Postdoctoral Fellow
Computational Structural Biology Group (A. Caflisch)
Department of Biochemistry
University of Zurich
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
Tel. +41-44-6355559
Email: r.friedman at bioc.unizh.ch
Skype: ran.friedman

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