J. G. E. M. Fraaije
University of Groningen
1 paper in the Anchorcite directory, published in 1997, cited 17,549 times in total.
ORCID profileResearch topics
- Protein Structure and Dynamics · 1 paper
- Matrix Theory and Algorithms · 1 paper
- Parallel Computing and Optimization Techniques · 1 paper
Frequent co-authors
- Berk Hess · 1 paper
- Henk Bekker · 1 paper
- Herman J. C. Berendsen · 1 paper
Papers
- LINCS: A linear constraint solver for molecular simulationsJournal of Computational Chemistry · 1997 · 17,549 citations
In this article, we present a new LINear Constraint Solver (LINCS) for molecular simulations with bond constraints. The algorithm is inherently stable, as the constraints themselves are reset instead of derivatives of the constraints, thereby eliminating drift. Although the derivation…
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