AMBER Archive (2009)

Subject: [AMBER] xmin

From: Peter Varnai (p.varnai_at_sussex.ac.uk)
Date: Thu May 14 2009 - 16:29:09 CDT


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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