Metropolis Importance Sampling for Rugged Dynamical Variables

Details Metropolis Importance Sampling for Rugged Dynamical Variables Metropolis Importance Sampling for Rugged Dynamical Variables

2002-09-17

arxiv.org/abs/cond-mat/0209413v2

Phys. Rev. Lett. 90, 180601 (2003)

Physics

Condensed Matter

Soft Condensed Matter

4 pages RevTex, 2 figures, 1 table. Revised after referee repots, 400K acceptance rates corrected

Scientific paper

10.1103/PhysRevLett.90.180601

A funnel transformation is introduced, which acts recursively from higher towards lower temperatures. It biases the a-priori probabilities of a canonical or generalized ensemble Metropolis simulation, so that they zoom in on the global energy minimum, if a funnel exists indeed. A first, crude approximation to the full transformation, called rugged Metropolis one (RM$_1$), is tested for Met-Enkephalin. At 300$ $K the computational gain is a factor of two and, due to its simplicity, RM$_1$ is well suited to replace the conventional Metropolis updating for these kind of systems.

Affiliated with

Also associated with

No associations

Rating

Metropolis Importance Sampling for Rugged Dynamical Variables does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Metropolis Importance Sampling for Rugged Dynamical Variables, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Metropolis Importance Sampling for Rugged Dynamical Variables will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-196086