Regensburg 2004 – wissenschaftliches Programm

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DY: Dynamik und Statistische Physik

DY 46: Poster

DY 46.58: Poster

Donnerstag, 11. März 2004, 16:00–18:00, Poster D

HP Proteins on Generalized Lattices — •Thomas Vogel, Michael Bachmann, and Wolfhard Janke — Institut für Theoretische Physik, Universität Leipzig, Augustusplatz 10/11, 04109 Leipzig, Germany

We investigated HP proteins [1] in three dimensions on simple cubic lattices and on the fcc lattice. Employing the nPERM algorithm [2] to selected sequences, we searched for ground states on both lattices and compared the density of states and the heat capacity of sequences which are designed on the simple cubic lattice.

PERM is a chain growth algorithm which combines the Rosenbluth method with the “Go with the Winners” strategy. Population control is implemented by cloning and pruning growing conformations depending on variable thresholds which are computed adaptively during the simulation.

[1] K.F. Lau, K.A. Dill, Macromol. 22 (1989) 3986.

[2] H.-P. Hsu, V. Mehra, W. Nadler, P. Grassberger, J. Chem. Phys. 118 (2002) 444.