Amber support group,
What is the exact equation of the 6-12 nonbonded
function in AMBER? In the Kollman JACS 106 (1984)
765-784 paper the equation appears to be [(A/R^12) -
(B/R^6)]; however, in the parm96.dat file the
parameters appear to be an bond distance and then
another value that is <0.5. These parameters do not
appear to be related to the given equation. I would
appreciate some enlightenment on this matter. I will
summarize upon request.
Cheers,
Karl
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|Karl Nicholas Kirschner, Ph.D. | | K |
|Complex Carbohydrate Research Center | | K |
| | #-----|
|University of Georgia - Athens, Ga USA #-------|
|
http://charon.chem.uga.edu/~karl |
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Received on Tue May 09 2000 - 11:17:45 PDT
