[gmx-users] Re: problem with g_anaeig

Berk Hess gmx3 at hotmail.com
Mon May 19 14:11:01 CEST 2003


Date: Mon, 19 May 2003 14:10:28 +0200
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Hi,

I just looked at the g_anaeig code (I didn't implement the -extr -first 
-last feature).
There is a bug: g_anaeig calculates the indices and extent for the minimum 
and maximum
projection for each vector, but then uses only the extent of the last 
vector.
This means the directions in the extreme#.pdb files are ok, but the 
amplitudes are not.

Berk.

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