[gmx-users] g_rms Fatal error: Error: Too many iterations in routine JACOBI

[Xavier Periole]

Anthony Cruz wrote:

>Hi:
>I run a MD of a protein in water. when I try to analyse the trajectory with 
>g_rms the program stop by the following error :
>Fatal error: Error: Too many iterations in routine JACOBI
>What could be the cause? How I can resolve the problem???
>  
>
That is certainly due to a mismatch between your reference topology and 
the content of
the trajectory ... make an topology that fits the trajectory.


-- 
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 Xavier Periole - Ph.D.

 Dept. of Biophysical Chemistry / MD Group   
 Univ. of Groningen
 Nijenborgh 4
 9747 AG Groningen
 The Netherlands
 
 Tel: +31-503634329
 Fax: +31-503634800
 email: x.periole at rug.nl
 web-page: http://md.chem.rug.nl/~periole
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