Global energy minima

Wheeler, Dr M.D. mdw10 at
Wed Sep 5 11:48:28 BST 2001

Dear All,
Is it possible to search for global energy minima using molpro for
molecules > 12 atoms, I seem to keep getting stuck in local minima (with
surrounding barriers of around 11 kJmol-1), is there any way to force
the program into doing a global search???

Thank you,


Dr. Martyn D. Wheeler
Department of Chemistry
University of Leicester
University Road
Leicester, LE1 7RH, UK.
Tel (office): +44 (0)116 252 3985
Tel (lab):    +44 (0)116 252 2115
Fax:          +44 (0)116 252 3789
Email:        martyn.wheeler at

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