Midpoint cell method for hybrid (MPI+OpenMP) parallelization of molecular dynamics simulations-Reference-Cited by-同舟云学术

Midpoint cell method for hybrid (MPI+OpenMP) parallelization of molecular dynamics simulations

Published:2014-03-23 Issue:14 Volume:35 Page:1064-1072
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Jung Jaewoon¹,Mori Takaharu²³,Sugita Yuji¹²³

Affiliation:

1. Computational Biophysics Research Team; RIKEN Advanced Institute for Computational Science; 7-1-26 Minatojima-minamimachi Chuo-ku, Kobe Hyogo Kobe 640-0047 Japan, Fax: +81 48 467 4532

2. RIKEN Theoretical Molecular Science Laboratory; 2-1 Hirosawa Wako-shi Saitama 351-0198 Japan

3. Laboratory for Biomolecular Function Simulation; RIKEN Quantitative Biology Center (QBiC); IMDA 6F, 1-6-5 Minatojimaminami-machi Chuo-ku, Kobe Hyogo 650-0047 Japan

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference34 articles.

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3. The Amber biomolecular simulation programs

4. CHARMM: The biomolecular simulation program

5. Scalable molecular dynamics with NAMD

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