1. Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt am Main, Max-von-Laue Straße 7, 60438 Frankfurt, Germany
2. Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University Heidelberg, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany
3. Department of Chemistry and Center for Integrated Protein Science CIPSM, Ludwig-Maximilians Universität München, Butenandtstr. 5-13, 81377 Munich, Germany
4. Department of Chemistry and Pharmacy, Friedrich-Alexander University Erlangen-Nürnberg, Nikolaus-Fiebiger Straße 10, 91058 Erlangen, Germany