abstract Niels Landwehr1 , Taneli Mielik¨ainen2 , Lauri Eronen2 , Hannu Toivonen1,2 , and Heikki Mannila2 1 Machine Learning Lab, Dept. of Comp. Science, University of Freiburg, G...
If a macromolecule is described by curvilinear coordinates or rigid constraints are imposed, the equilibrium probability density that must be sampled in Monte Carlo simulations in...