[gmx-users] g_cluster -dm

Mark Abraham Mark.Abraham at anu.edu.au
Wed Sep 27 16:30:19 CEST 2006

Nikos Sgourakis wrote:
>  Hello,
>   I am trying to use g_cluster.  However, the result I am obtaining when
> using  a pre-calculated RMSD matrix with the -dm option is quite
> different than the one I get when the RMSD matrix is calculated by
> g_cluster from a trjectory of structures.  Is this a matter of precision
> in the xpm file?

Have you tried comparing the output with -o with your "pre-calculated" 
.xpm file? Are you sure they're being generated from the same source?


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