Dear All,
I noticed that that xmin minimiser (amber 10) terminates the cycles
before it reaches either maxcyc or drms. It prints RMS=0.0 values
along the cycles except in the 'final results'. It does not seem to be
able to handle periodic systems. Is there a way to force xmin to reach
maxcyc or drms?
Peter
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Received on Wed May 20 2009 - 16:33:41 PDT
