The reduction of spatial grid effects in plasma simulations has been studied numerically using higher order multipole expansions and the spline method in one dimension. It is found that, while keeping the higher order moments such as quadrupole and octopole moments substantially reduces the grid eff
โฆ LIBER โฆ
Higher order multipole moments for molecular dynamics simulations
โ Scribed by Nuria Plattner; Markus Meuwly
- Book ID
- 106240050
- Publisher
- Springer-Verlag
- Year
- 2009
- Tongue
- English
- Weight
- 423 KB
- Volume
- 15
- Category
- Article
- ISSN
- 1610-2940
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We have implemented the fast multipole algorithm (FMA) of Greengard and Rokhlin and incorporated it into the molecular dynamics program MD of Windemuth and Schulten, allowing rapid computation of the non-bonded forces acting in dynamical protein systems without truncation or other corruption of the