Dear all,
I have a question regarding the 12-6-4 lj nonbonded model of the metal.
I don't understand how in this tutorial
http://ambermd.org/tutorials/advanced/tutorial20/12_6_4.htm, they defined
new terms for NAMG, NGMG, OPMG. And why exactly the N7 from adenine and
guanine were selected?
My system is a protein, should I add new terms for the ligating residues?
or only run parmed command without introducing new terms?
Regards,
Sara
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Received on Tue Nov 08 2022 - 13:30:03 PST
