New method for parallel computation of Hessian matrix of conformational energy function in internal coordinates
A new algorithm for parallel calculation of the second derivatives (Hessian) of the conformational energy function of biomolecules in internal coordinates is proposed. The basic scheme of this algorithm is the division of the entire calculation of the Hessian matrix (called "task") into su...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 23(2002), 4 vom: 22. März, Seite 463-9 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2002
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Biopolymers Nucleic Acids RNA, Transfer, Gln |