| F. Zhou and K. Schulten, Journal Of Physical Chemistry 99 (1995) 2194-2207. |
....factor in the convergence of the reciprocal space sum) increases. The scaling of the method is thus non linear and ultimately the cost becomes prohibitive. Alternative methods, such as fast multipoles (FMM) 45] and particle mesh Ewald (PME) have already been used in large scale simulations [35, 46 49]. Although the fast multipole method has linear scaling with n, the number of particles, and particle mesh Ewald has order n log 2 (n) scaling, at least one recent comparison of the two methods comes out substantially in favour of PME [50] as the preferred method for both scalar and parallel MD ....
F. Zhou and K. Schulten, Journal Of Physical Chemistry 99 (1995) 2194-2207.
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