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
Acceleration of molecular mechanic simulation by parallelization and fast multipole techniques
✍ Scribed by H. Schwichtenberg; G. Winter; H. Wallmeier
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 673 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0167-8191
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