[gmx-users] g_rms error

Anu Tervo ajtervo at csc.fi
Wed Oct 9 08:39:58 CEST 2002


I hope that someone could help me with my problem. When I try to get
rmsd-plot of my md-run with g_rms, I get the following error at some
point of the process:

>Reading frame       7 time   14.000   Fatal error: Numerical Recipes: Too
>many iterations in routine JACOBI

Do you know what this means? I tried to compare the .trr-file of md-run
with either original .pdb-file or .g96-file made from the original pdb.
How can I avoid that error and compare my files?

I would really much appreciate of your help!

Best regards,


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