Gromacs: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

被引：15473
|
作者：
Abraham, Mark James [1 ]
Murtola, Teemu [4 ]
Schulz, Roland [2 ,3 ]
Páll, Szilárd [1 ]
Smith, Jeremy C. [2 ,3 ]
Hess, Berk [1 ]
Lindah, Erik [1 ,4 ]
机构：
[1] Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna,17121, Sweden
[2] Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge,TN,37831, United States
[3] Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, M407 Walters Life Sciences, 1414 Cumberland Avenue, Knoxville,TN,37996, United States
[4] Center for Biomembrane Research, Department of Biochemistry and Biophysics, Stockholm University, Stockholm,SE-10691, Sweden
来源：
SoftwareX | 2015年 / 1-2卷
关键词：
641.1 Thermodynamics - 714.2 Semiconductor Devices and Integrated Circuits - 721.3 Computer Circuits - 722.4 Digital Computers and Systems - 723 Computer Software; Data Handling and Applications - 801.4 Physical Chemistry - 921.6 Numerical Methods;
D O I：
10.1016/j.softx.2015.06.001
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：19 / 25
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