[gmx-users] subspaces / cov. matrices overlap
Jose D Faraldo-Gomez
jdfg_gmx at hotmail.com
Wed Apr 3 01:47:45 CEST 2002
> > g_anaeig_d -v $trr -v2 $trr2 -over -last 402 (for 134 C-alphas)
> > and I always get that the 402 eigenvectors in $trr2 overlap completely
> > the 402 eienvetors in $trr (the overlap increases linearly),
> > of the choice of these sets.
>yes, these coordinates span the same space! Usually we take -last 5 or
>This will produce a graph (overlap.xvg) that tells you how many vectors
>one set you need to (approximately) rebuild the 5 (or 10) dimensional
>subspace of the other.
Thanks Bert, I see your point. However, I don't understand how/why the
complete sets of eigenvectors in $trr and $trr2 necessarily span the same
subspace... even though in my case they correspond to (a) ligand-free and a
ligand-bound forms of a protein, and (b) different sampling windows - e.g.
100ps vs 10ns. I guess that's why I was wondering whether this is related to
any mathematical property of the eigenvectors...
Send and receive Hotmail on your mobile device: http://mobile.msn.com
More information about the gromacs.org_gmx-users