I was wondering if in Amber one can give it a unit cell from
a crystal structure and ask it to calculate different energies
as if the complex was in an infinite array? We want to see the
effects of intermolecular hydrogen bonding in a complex.
If not - could you kindly let me know of a package that may do it?
Thanks for your help
Dr. Tim Astley
Tim Astley email: Tim.Astley_at_utas.edu.au
School of Chemistry Ph: (03) 6226 2783
University of Tasmania Fax: (03) 6226 2858
Received on Wed Dec 13 2000 - 20:38:31 PST
