[gmx-users] extraction of PDB from clusters.pdb

HANNIBAL LECTER hanniballecter13 at gmail.com
Wed Jul 17 14:08:10 CEST 2013

You can do it by using simple shell scripting
On Jul 17, 2013 12:58 AM, "Shine A" <shine.a at iisertvm.ac.in> wrote:

> Sir,
>         Using g_cluster I clustered snapshots in md trajectory using the
> command as follows
> g_cluster -s sd_7.tpr -f traj7.trr -dist rmsd-distribution.xvg -o
> clusters.xpm -sz cluster-sizes.xvg -tr cluster-transitions.xpm -ntr
> cluster-transitions.xvg -clid cluster-id-over-time.xvg -cl clusters.pdb
> -cutoff 0.25 -method gromos -dt 10
> Here I got clusters.pdb having central structures in each cluster. Is there
> any command line option available to extract all individual files from
> clusters.pdb.
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