Subject: G92 opt, flat PE surface

From: [email-masked] (LEM)
Date: Sun, 16 Apr 95 19:27:03 -0400

I've sent this to [email-masked], but, inexplicably, Doug Fox
seems to decided to spend Easter Sunday offline :-)   So I'm
throwing the question out to the other poor souls who are working`
this evening and tomorrow AM (Patriot's Day here in MA.)
   
  I did mention that the CCL will be featured on my thesis acknowledgements
page, didn't I?

  Hi there.  I know this question must have been covered in the
workshop, but I can't find it in my notes.  I have a great big
molecule with five rings.  It's just done about twenty cycles of the
YES YES NO NO variety -- forces have been tiny since the first 8 cycles
or so, it was a pretty good geometry.  The oligomer is being
held planar, but other than that it's free to wander, and it's
been strolling around this flat potential surface like a windowshopper
at a mall.
  
  What was it, precisely, that we're supposed to do when this happens?
Switch optimization routines?  Declare it optimized and the hell with it?
Take up gardening?  Sigh...
  
  Many thanks, as usual,
  Dawn

Reply to either [email-masked] 
or [email-masked]