Hello everybody.
I am using AMBER9 software.
I want to model an amino acid in water under a polarizable potential.
As i understand i can use leaprc.ff02 force field.
Can anybody explain how to start my simulation? How can i choose my
potential? I am starting from a pdb file. If i try to create prmtop
and inpcrd files by antechamber and Xleap, it fails. Which is the more
suitable method to run a polarizable potential?
Thank you.
Denis.
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Received on Wed Nov 28 2007 - 06:07:37 PST
