English

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

Statistical Mechanics 2021-08-19 v1 Soft Condensed Matter Biological Physics Chemical Physics

Abstract

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.

Keywords

Cite

@article{arxiv.2102.11847,
  title  = {Time- and ensemble-average statistical mechanics of the Gaussian Network Model},
  author = {Alessio Lapolla and Maximilian Vossel and Aljaž Godec},
  journal= {arXiv preprint arXiv:2102.11847},
  year   = {2021}
}