[gmx-users] Residue Selection
Michael.Carter at icr.ac.uk
Tue Nov 18 10:15:51 CET 2014
I have made and I have then clustered my results based upon this selection of residues.
This was performed like this:
g_cluster -f protein_nojump_rt.xtc -s protein.tpr -n index.ndx -o rmsd-clust.xpm -g cluster.log -dist rmsd-dist.xvg -ev rmsd-eig.xvg -sz clust-size.xvg -tr clust-trans.xpm -ntr clust-trans.xvg -clid clust-id.xvg -cl clusters.pdb -method gromos -cutoff 0.1
Is there a way to do this but also print out the remaining protein to the resultant clusters.pdb? As currently this file includes only the binding site residues in index.ndx.
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