1. Computational Biology and Biological Physics, Department of Astronomy and Theoretical Physics, Lund University, Sölvegatan 14A, SE-223 62 Lund, Sweden
2. Department of Biophysical Chemistry, Center for Molecular Protein Science, Lund University, P.O. Box 124, SE-22100 Lund, Sweden
3. Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich, D-52425 Jülich, Germany