[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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