slowcooling forever!

Luke M. Rice luke at LAPLACE.CSB.YALE.EDU
Fri Oct 18 14:17:10 EST 1996



This type of problem (long slowcools, many R-factor printouts) also  
occurs if the value of tolerance is set to 0.0.  You might want to  
check your input file to be sure that tolerance is reset at the  
beginning of the loop.  In other words, the file should look like  
this:

 while ($trial le $ntrial) loop trial
    coor swap end
    coor copy end
    

    xrefin   

      tolerance=0.2 lookup=true    {* For dynamics. }         

    end
 

{  ... etc ...  }



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