[gmx-users] a qiestion about using g_cluster
mkubitz at gwdg.de
Wed Aug 29 16:39:27 CEST 2007
first, generate an appropriate index file with make_ndx. There you can
select the loops you want to analyze. Second, run g_cluster -s -f -n.
Li Su wrote:
> Dear Sir/Madam,
> I am trying to use g_cluster to clusterize my protein trajectories. The
> proein core is very rigid, only loops will fluctuate. When I clusterize
> I want to clusterize only on the loops in stead of the whole protein.
> But when I use g_cluster it only offer choices on whole protein or c
> alpha or backbone and so on, all of which focus on the whole protein. I
> am wondering is there any way I can choose a part of the protein to
> clusterize? Thank you very much for your help!
> Best Wishes,
> Li Su
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