James C. Phillips, Klaus Schulten, Abhinav Bhatele, Chao Mei, Yanhua Sun, Eric J. Bohm, Laxmikant V. Kalé. Scalable Molecular Dynamics with NAMD. In Laxmikant V. Kalé, Abhinav Bhatele, editors, Parallel Science and Engineering Applications - The Charm++ Approach. Series in Computational Physics, pages 61-78, CRC Press, 2013.