Herman J. C. Berendsen

Research topics

• Protein Structure and Dynamics · 2 papers
• Advanced Chemical Physics Studies · 1 paper
• Spectroscopy and Quantum Chemical Studies · 1 paper
• Matrix Theory and Algorithms · 1 paper
• Parallel Computing and Optimization Techniques · 1 paper

Frequent co-authors

• Berk Hess · 2 papers
• David van der Spoel · 1 paper
• Erik R. Lindahl · 1 paper
• Gerrit Groenhof · 1 paper
• Alan Edward Mark · 1 paper
• Henk Bekker · 1 paper
• J. G. E. M. Fraaije · 1 paper

Papers

1. GROMACS: Fast, flexible, and freeJournal of Computational Chemistry · 2005 · 19,704 citations

   This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the early 1990s. The software, written in ANSI C, originates from a parallel hardware project, and is…

2. 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…