AMBER Archive (2001)

Subject: problem with anal

From: arnaud (arnaud_at_lcc-toulouse.fr)
Date: Fri Sep 07 2001 - 11:47:24 CDT

Hi,

I would like to run anal but the calculation failed with the following end
output file :

   3. A T O M I C C O O R D I N A T E S
 
CARNAL temporary title
 
          NUMBER OF ATOMS = 13919
 
           ENTERING INTO PDB OUTPUT ROUTINE
  
          LOADING THE GROUPS FOR ANALYSIS
 
    ----- END OF GROUP READ -----
 
    NON-BONDED PAIRS ARE GENERATED IN RESIDUE BASE
    AND STORED AS RESIDUE PAIRS
 
  Number of NB Res pairs = 9651421 exceeds max = 1225376

Have you an idea to resolv this problem ?

Thank you for your help in advance.

Sincerely yours.

Philippe 

--
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Arnaud Philippe 
Labo de Chimie de Coordination
105, route de Narbonne
31077 TOULOUSE

Tél : 05.61.33.31.12

arnaud_at_lcc-toulouse.fr
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