GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation-Reference-Cited by-同舟云学术

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GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Published:2008-02-02 Issue:3 Volume:4 Page:435-447
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hess Berk¹,Kutzner Carsten²,van der Spoel David³,Lindahl Erik⁴

Affiliation:

1. Max-Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany

2. Department of Theoretical and Computational Biophysics, Max-Planck-Institute of Biophysical Chemistry, Am Fassberg 11, D-37077 Göttingen, Germany

3. Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden

4. Stockholm Center for Biomembrane Research, Stockholm University, SE-10691 Stockholm, Sweden

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct700301q

Reference36 articles.

1. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

2. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J. InIntermolecular Forces; Pullman, B., Ed.; D. Reidel Publishing Company: Dordrecht, 1981; pp 331−342.

3. Comparison of simple potential functions for simulating liquid water

4. Parallel Computers and Molecular Simulation

5. Systolic loop methods for molecular dynamics simulation using multiple transputers

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