Dear Ambers,
I have some questions about developing the atomic interaction potentials in
AMBER.
First, I have used the ab initio method to calculate the atomic interaction
potential, for example, (UO2)2+ - (CO3)2- interaction potential figure.
How should I use this potential figure to define the potential in AMBER?
Thank you very much in advance,
young
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Received on Tue Jul 17 2001 - 19:58:28 PDT
