Chem-Bio Informatics Journal
Online ISSN : 1347-0442
Print ISSN : 1347-6297
Original
A portable code for dissipative particle dynamics (DPD) simulations with additional specific interactions
Doi HideoOkuwaki KojiNaito TakamitsuSaitou SonaMochizuki Yuji
Author information
JOURNALS FREE ACCESS

2018 Volume 18 Pages 70-85

Details
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 α-helix and β-sheet through DPD were then demonstrated. CAMUS is freely available at the GitHub site.

Information related to the author
Authors
Previous article Next article
feedback
Top