[gmx-users] nans in g_anaeig

alexander yakovenko yakovenko_a at ukr.net
Tue Oct 27 20:46:17 CET 2009


Hi all!  
I run into a problem trying to project trajectory on the eigenvector(s) (with g_anaeig -proj ) from covariace matrix - all projections are nan. The eigenvalues are OK, the g_anaeig -comp -v2 -eig2 -over options works OK so eigenvectors seems are OK  (but g_anaeig -2d fails to nan too). I am using gromacs-4.0.5 on x86-64 CentOS5 (compiled with gcc-34).  
What can help me to project it properly?  
Regards,  
Alex.  
      
  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20091027/80da6607/attachment.html>


More information about the gromacs.org_gmx-users mailing list