Hi all,
I'm a new user to amber simulation package. Now, I have a question on
potentials for the intermolecular interaction. According to the amber users'
manual, it seems to me that the 12-6 Lennard-Jones potential is the only one
to be used for describing van der Waals term. I'm wondering if there are any
other options. I want to use 9-6 LJ potential or Buckingham potential. Does
anybody know if it's possible to get it in AMBER? Your any suggestion and
advice will be highly appreciated.
Lan
Department of Chemistry
University of Missouri-Coumbia
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Received on Thu Sep 08 2011 - 13:30:02 PDT
