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  

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


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


{  ... etc ...  }

More information about the X-plor mailing list