A portable code for dissipative particle dynamics (DPD) simulations with additional specific interactions
Chemical Physics
2018-07-03 v1
Abstract
We developed a portable code for dissipative particle dynamics (DPD) simulations. This Fortran program named CAMUS has a couple of notable features. One is the omission of constructing the so-called neighboring particles list, providing a sizable speed-up per step and also a near linear scaling of costs with respect to the number of particles. The other is an easy inclusion of additional specific (such as 1-3 and 1-5 Morse bonding) interactions which are crucial in describing protein structures. The formations of alpha-helix and beta-sheet through DPD were then demonstrated. CAMUS is freely available at the GitHub site.
Cite
@article{arxiv.1804.06205,
title = {A portable code for dissipative particle dynamics (DPD) simulations with additional specific interactions},
author = {Hideo Doi and Koji Okuwaki and Takamitsu Naito and Sona Saitou and Yuji Mochizuki},
journal= {arXiv preprint arXiv:1804.06205},
year = {2018}
}
Comments
33 pages, 3 tables, 7 figures