AMBER Archive (2009)

Subject: [AMBER] xmin

From: Peter Varnai (
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?


AMBER mailing list