| A. Windemuth and K. Schulten. Molecular dynamics simulation on the Connection Machine. Molec. Sim., 5:353--361, 1991. 37 |
.... implementations of state of the art biological MD programs such as CHARMM and GROMOS using this technique are discussed in [13, 17] Force decomposition methods which systolically cycle atom data around a ring or through a grid of processors have been used on MIMD [26, 49] and SIMD machines [16, 57]. Other force decomposition methods that use the force matrix formalism we discuss in Sections 3 and 4 have been presented in [12] and [15] Boyer and Pawley [12] decompose the force matrix by sub blocks, while the method of Brunet, et al. 15] partitions the matrix element by element. In both ....
A. Windemuth and K. Schulten. Molecular dynamics simulation on the Connection Machine. Molec. Sim., 5:353--361, 1991. 37
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