[CNS] Generate question

Jeff Taylor JSTaylor at duke.edu
Mon Jul 31 11:12:17 EST 2000


Hi -

When I run generate.inp to create a mtf/pdb pair CNS prints this:

 SHOW: sum over selected elements =       1.000000
 ( D    HIS  151  N    )    16112.    
 ( D    HIS  151  N    )  D   
 ( D    HIS  151  N    )  151 
 ( D    HIS  151  N    )  HIS 
 SHOW: sum over selected elements =       1.000000
 ( D    HIS  151  C    )  D   
 ( D    HIS  151  C    )  151 
 ( D    HIS  151  C    )  HIS 
 SHOW: sum over selected elements =       1.000000
 ( D    ARG  152  N    )    16125.    
 ( D    ARG  152  N    )  D   
 ( D    ARG  152  N    )  152 
 ( D    ARG  152  N    )  ARG 
 SHOW: sum over selected elements =       1.000000
 ( D    ARG  152  C    )  D   
 ( D    ARG  152  C    )  152 
 ( D    ARG  152  C    )  ARG 
.... etc.

everything works fine, but all those SHOW: sums take all long time. 
What is the routine doing here?  Is this section required in all cases? 
If not, how can I turn it off? 

Thanks,

Jeff Taylor



-- 
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=
Dr. Jeffrey S. Taylor       Duke University Medical Center
Department of Biochemistry  Box 3711, Nanaline Duke Bld  
Phone (919) 681-5266        Durham, NC 27710






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