AMBER Archive (2007)

Subject: AMBER: About RAMD

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Thu Nov 29 2007 - 01:26:45 CST

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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