Is it any way to implement RAMD (Random Acceleration Molecular Dynamics, as
from D Case et al J Comput Chem 2005, 26, 1668-1688) in Amber9? I would like to
apply it to push a ligand out of a pore protein and see the path.
Thanks
francesco pietra
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Received on Sun Dec 02 2007 - 06:07:16 PST
