[Xplor-nih] bond-breaking!

David P. Giedroc giedroc at indiana.edu
Wed May 21 17:17:39 EDT 2008


I'm getting lots of broken bonds when I attempt to generate random  
structures using the random.inp script attached, as indicated in the  
log file (abbreviated).  These of course persist in subsequent sa  
runs.  Pls. advise.  Thanks.  David
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