[gmx-users] Another question about g_anaeig
Semen Esilevsky
yesint4 at yahoo.com
Wed Jul 19 11:07:41 CEST 2006
> Semen Esilevsky wrote:
> > I have another question about g_anaeig:
> > If I use -proj option in conjuction with -first
> and
> > -last the program writes projection of only one
> first
> > eigenvector. As I understand it should be one
> column
> > for each eigenvector in the range. What's wrong?
> >
> you probably have to do it separately for each EV.
>
>
>
> --
> David.
>
Yes, it seems so. But, imho, this is very unlogical.
If I want to check the cosine content for principal
components I usually need to compare many eigenvectors
to find the significant subset, so 20 columns in the
output for 20 vectors will help me a log. I'm not very
profecient in C to hack the source... Let it be a
feature request for developers.
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