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

David van der Spoel spoel at xray.bmc.uu.se
Wed Jul 30 08:42:21 CEST 2008

G.H. Zuo wrote:
> 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?

please give more information. do you pass it a tpr file or index file 
with different (lower) number of atoms?

if this is not the case you are welcome to submit a bugzilla.
> Thanks
> G.H. Zuo
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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