[gmx-users] g_cluster for concoord output?

Albert mailmd2011 at gmail.com
Tue Apr 3 08:23:13 CEST 2012


     I've generated a disoc.pdb file by concoord and does any one have 
any idea how to analyze it by Gromacs g_cluster? when I read the manual 
of g_cluter, it will require

   -f       traj.xtc  Input, Opt.  Trajectory: xtc trr trj gro g96 pdb cpt
   -s      topol.tpr  Input, Opt.  Structure+mass(db): tpr tpb tpa gro 
g96 pdb
   -n      index.ndx  Input, Opt.  Index file
  -dm       rmsd.xpm  Input, Opt.  X PixMap compatible matrix file

but the concoord output is a single pdb file.....

thank you very much

best wishes

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