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cond-mat.stat-mech2000
Generalized-Ensemble Algorithms for Molecular Simulations of Biopolymers
Ayori Mitsutake, Yuji Sugita, Yuko Okamoto
In complex systems with many degrees of freedom such as peptides and proteins there exist a huge number of local-minimum-energy states. Conventional simulations in the canonical en…
cond-mat.stat-mech2000★ 81 cited
Replica-Exchange Simulated Tempering Method for Simulations of Frustrated Systems
A. Mitsutake, Y. Okamoto
We propose a new method for the determination of the weight factor for the simulated tempering method. In this method a short replica-exchange simulation is performed and the simul…