[gmx-users] concoord problem

John Simms jxs818 at bham.ac.uk
Tue Jul 27 17:53:58 CEST 2004

Hi All,
I know that Concoord is not strictly a Gromacs issue, but I assume a few
people on the list use it. I have a problem :-), I run dist and disco and
get pdb outputs. I run the xtc file produced at the end of the Concoord run
through g_covar and all is fine. Finally, through g_anaeig with the extreme
option on. The extremes of all of the eigenvectors are disordered atoms,
only a few frames in the middle show ordered structure. What am I doing
wrong, as Concoord produced fluctuations in structure around distance
restraints. Also, a seperate issue, can the Concoord method distinguish
between residue mutations, ie get different eigenvectors?
Many thanks in advance

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