1. Centre
for Molecular Simulation and Department of Biological Sciences, University of Calgary, Calgary, Alberta, Canada T2N 1N4
2. Centre
for Molecular Simulation, Institute for Quantum Science and Technology
and Department of Chemistry, University of Calgary, Calgary, Alberta, Canada T2N 1N4
3. Institute
of Physical Chemistry, Karlsruhe Institute of Technology, Kaiserstr.
12, 76021 Karlsruhe, Germany
4. Department
of Chemistry, University of Wisconsin—Madison, Madison, Wisconsin 53706, United States
5. Department
of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois 60637, United States