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GROMACS: fast, flexible, and free.
Van Der Spoel D, Lindahl E, Hess B, Groenhof G, Mark AE, Berendsen HJ. Van Der Spoel D, et al. Among authors: berendsen hj. J Comput Chem. 2005 Dec;26(16):1701-18. doi: 10.1002/jcc.20291. J Comput Chem. 2005. PMID: 16211538
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