[gmx-users] g_cluster for concoord output?
Albert
mailmd2011 at gmail.com
Tue Apr 3 08:23:13 CEST 2012
Dear:
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
More information about the gromacs.org_gmx-users
mailing list