[gmx-users] Is there a bug for g_anaeig?

G.H. Zuo ghong.zuo at gmail.com
Wed Jul 30 06:14:38 CEST 2008


Hello everyone,

I used g_anaeig to analyzes eigenvectors of covariance matrix(PCA, by
g_covar).
But it seem that, the program g_anaeig in the gromace 3.3.3 is not work
right.
There is a segmentation fault.  The output is like that:

........
trn version: GMX_trn_file (single precision)
Read non mass weighted reference structure with 47 atoms from eigenvec.trr
Read non mass weighted average/minimum structure with 47 atoms from
eigenvec.trr
Segmentation fault

Interestingly, the program in the 3.3.1 works well.  Is there a bug or
something else in
this program?

Thanks

G.H. Zuo
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