Time- and ensemble-average statistical mechanics of the Gaussian Network Model

Autor: Lapolla, Alessio, Vossel, Maximilian, Godec, Aljaž
Rok vydání: 2021
Předmět:
Zdroj: J. Phys. A: Math. Theor. 54 (2021) 355601
Druh dokumentu: Working Paper
DOI: 10.1088/1751-8121/ac16e4
Popis: We present analytical results (up to a numerical diagonalization of a real symmetric matrix) for a set of time- and ensemble-average physical observables in the non-Hookean Gaussian Network Model (GNM) - a generalization of the Rouse model to elastic networks with links with a certain degree of extensional and rotational stiffness. We focus on a set of coarse-grained observables that may be of interest in the analysis of GNM in the context of internal motions in proteins and mechanical frames in contact with a heat bath. A C++ computer code is made available that implements all analytical results.
Databáze: arXiv