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

Journal of Chemical Theory and Computation - Tập 4 Số 3 - Trang 435-447 - 2008
Berk Hess1,2,3,4, Carsten Kutzner1,2,3,4, David van der Spoel1,2,3,4, Erik Lindahl1,2,3,4
1Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden.
2Department of Theoretical and Computational Biophysics, Max-Planck-Institute of Biophysical Chemistry, Am Fassberg 11, D-37077 Göttingen, Germany.
3Max-Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany
4Stockholm Center for Biomembrane Research, Stockholm University, SE-10691 Stockholm, Sweden.

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