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Phillips, J.C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Skeel, R.D., Kale, L. and Schulten, K. (2005) Scalable Molecular Dynamics with NAMD. Journal of Computational Chemistry, 26, 1781-802.
https://doi.org/10.1002/jcc.20289
http://www.ks.uiuc.edu/Research/namd
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