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Gromacs

swMATH ID: 4128
Software Authors: Mark James Abraham; Teemu Murtola; Roland Schulz; Szilárd Páll; Jeremy C.Smith; Berk Hess; Erik Lindahl
Description: GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers
Homepage: http://www.gromacs.org/
Programming Languages: C/C++, Fortran
Operating Systems: UNIX, MacOS X
Keywords: molecular dynamics
Related Software: NAMD; CHARMM; LINCS; AMBER; VMD; LAMMPS; CUDA; Python; DESMOND; PyMOL; OpenMM; GROMOS; APBS; PROCHECK; ESPResSo; SETTLE; NAMD2; NumPy; PLUMED; DL_POLY
Referenced in: 99 Publications
Further Publications: http://www.gromacs.org/Gromacs_papers

Standard Articles

1 Publication describing the Software Year

all top 5

Referenced by 319 Authors

3 Akhmatskaya, Elena
3 Fackeldey, Konstantin
3 Weber, Marcus
2 Alexov, Emil
2 Anderson, Joshua A.
2 Baker, Nathan A.
2 Bou-Rabee, Nawaf M.
2 Bujotzek, Alexander
2 Gao, Huajian
2 Gonnet, Pedro
2 Hartmann, Carsten
2 Hu, Guohui
2 Kong, Yong
2 Lei, Huan
2 Lulu, Sajitha
2 Sanz-Serna, Jesús María
2 Schütte, Christof
2 Shen, Zuowei
2 Shi, Xinghua
2 Xu, Zhenli
2 Yang, Jianbin
2 Zhou, Zhewei
1 Abbasi, Muhammad Athar
1 Agrahari, Ashish Kumar
1 Ahmadi, Samrand Rash
1 Aktulga, Hasan Metin
1 An, Meiwen
1 Ananthasuresh, G. K.
1 Angelikopoulos, Panagiotis
1 Anishetty, Sharmila
1 Antonov, Mikhail Yu.
1 Anupama, Rani
1 Arnold, Axel
1 Ataei, Mohammadmehdi
1 Aziz-ur-Rehman
1 Babu, Subramanian
1 Bai, Xiaolu
1 Banisch, Ralf
1 Barakos, George N.
1 Bauman, Paul T.
1 Bayazitoglu, Yildiz
1 Baz, Jörg
1 Berendsen, Herman J. C.
1 Bittracher, Andreas
1 Board, John A. jun.
1 Bowers, Kevin J.
1 Bozorgmehr, Mohammad Reza
1 Braz, Antonio Sérgio Kimus
1 Brown, W. Michael
1 Bu, Bing
1 Bussmann, Markus
1 Buti, Federico
1 Cacciagrano, Diletta Romana
1 Cai, Difeng
1 Cai, Wei
1 Carvalho, A. J. Palace
1 Casoni, E.
1 Chen, Kaixian
1 Chen, Weiyi
1 Chen, Xiaolin
1 Clark, Tim W.
1 Corradini, Flavio
1 Costa, Franco S.
1 Cruz-Chú, Eduardo R.
1 Danani, Andrea
1 Delbary, Fabrice
1 Desbrun, Mathieu
1 Diao, Jiajie
1 Dill, Ken A.
1 Dittmer, Evelyn
1 Doss, George Priya C.
1 Dror, Ron O.
1 Eguzkitza, Beatriz
1 Engel, Michael
1 Escribano, Bruno
1 Fahrenberger, Florian
1 Fang, Haiping
1 Farhi, Asaf
1 Fennell, Christopher J.
1 Ferguson, Andrew L.
1 Fernández-Pendás, Mario
1 Fernández, Ariel
1 Friedrich, Rudolf
1 Fujita, Takatoshi
1 Gang, Chen
1 Gao, Peiyuan
1 Ghale, Purnima
1 Gharabekyan, Hrant H.
1 Glotzer, Sharon C.
1 Gogolinska, Anna
1 Gong, Lihua
1 Grama, Ananth Y.
1 Greenberger, Moshe M.
1 Grogan, Francesca
1 Grubb, Thomas L.
1 Gu, Yuantong
1 Haberl, Florian
1 Hadjidoukas, Panagiotis E.
1 Hahn, Georg
1 Hamzi, Boumediene
...and 219 more Authors
all top 5

Referenced in 43 Serials

18 Journal of Computational Physics
13 Journal of Theoretical Biology
4 Computer Physics Communications
4 SIAM Journal on Scientific Computing
4 Computational Biology and Chemistry
3 Computer Methods in Applied Mechanics and Engineering
3 Applied Mathematics and Mechanics. (English Edition)
3 Acta Mechanica Sinica
3 Computational & Mathematical Methods in Medicine
2 Journal of Statistical Physics
2 Applied and Computational Harmonic Analysis
2 Journal of Mathematical Chemistry
1 Acta Mechanica
1 Computers and Fluids
1 Computers & Mathematics with Applications
1 International Journal of Heat and Mass Transfer
1 International Journal for Numerical Methods in Fluids
1 International Journal of Theoretical Physics
1 Journal of Fluid Mechanics
1 Journal of the Mechanics and Physics of Solids
1 Mathematical Biosciences
1 Physica A
1 Applied Mathematics and Computation
1 International Journal for Numerical Methods in Engineering
1 Computational Mechanics
1 Japan Journal of Industrial and Applied Mathematics
1 SIAM Review
1 Journal of Nonlinear Science
1 Computational Optimization and Applications
1 Journal of Computational Neuroscience
1 Chaos
1 Proceedings of the Royal Society of London. Series A. Mathematical, Physical and Engineering Sciences
1 RAIRO. Operations Research
1 Archives of Computational Methods in Engineering
1 Entropy
1 Central European Journal of Mathematics
1 International Journal of Geometric Methods in Modern Physics
1 Acta Numerica
1 Inverse Problems in Science and Engineering
1 Interdisciplinary Applied Mathematics
1 Communications in Computational Physics
1 Mathematical Control and Related Fields
1 Molecular Based Mathematical Biology

Referencing Publications by Year