Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5
Version of Record online: 5 APR 2011
Copyright © 2011 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 32, Issue 9, pages 2031–2040, 15 July 2011
How to Cite
Abraham, M. J. and Gready, J. E. (2011), Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5. J. Comput. Chem., 32: 2031–2040. doi: 10.1002/jcc.21773
- Issue online: 25 APR 2011
- Version of Record online: 5 APR 2011
- Manuscript Accepted: 20 JAN 2011
- Manuscript Received: 21 JUL 2010
Additional Supporting Information may be found in the online version of this article.
|JCC_21773_sm_SuppMaterials1.pdf||251K||Supporting Information Materials 1.|
|JCC_21773_sm_SuppMaterials2.pdf||234K||Supporting Information Materials 2.|
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