Real Cost of Speed: The Effect of a Time-Saving Multiple-Time-Stepping Algorithm on the Accuracy of Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Real Cost of Speed: The Effect of a Time-Saving Multiple-Time-Stepping Algorithm on the Accuracy of Molecular Dynamics Simulations

Published:2017-05-26 Issue:6 Volume:13 Page:2367-2372
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Reißer Sabine¹²,Poger David¹²,Stroet Martin¹²,Mark Alan E.¹²^ORCID

Affiliation:

1. Institute of Biological Interfaces (IBG-2) and ‡Department of Theoretical Chemical Biology, Institute of Physical Chemistry, Karlsruhe Institute of Technology, 76131 Karlsruhe, Germany

2. School of Chemistry and Molecular Biosciences and §Institute for Molecular Bioscience, The University of Queensland, Brisbane, Queensland 4072, Australia

Funder

Karlsruher Institut f?r Technologie

National Health and Medical Research Council

Australian Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00178

Reference47 articles.

1. Molecular Dynamics Study of Liquid Water