[gmx-users] question on g_cluster
karmatech at yahoo.co.uk
Mon Apr 17 11:38:34 CEST 2006
Is it possible to use g_cluster to cluster NAMD2 trajectories?
I am trying to use g_cluster to cluster my NAMD2 deriven trajectories. First, I converted my .dcd trajectory into .pdb format. Then, tried this:
>g_cluster -f mypdb.pdb -cl clusters.pdb
and it did not work. Later, I converted my .pdb to .xtc and tried:
>g_cluster -f myxtc.xtc -cl clusters.pdb
does not work either. Should I include a Gromacs MD run specific .tpr topology file as well, though it is mentioned as "optional input"?
I hope you can help me out,
Osman N. Yogurtcu
Center for Computational Biology and Bioinformatics
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