In this project, meshless methods for use in conformation dynamics are developed, enhanced, and implemented in ZIBgridfree. Current development highlights are adaptive hierarchical refinement of Ansatz functions during the sampling process and methods for statistical error estimation. ZIBgridfree now features an open interface to different kinds of force fields, arbitrarily definable types of internal coordinates and various other enhancements to improve the process of modeling and trajectory analysis.

• Monika Schäfer-Korting (FU Berlin, Pharmacology and Toxicology)
• Klaus D. Kramer (FU Berlin, Medical Physics)