1. Department of Chemistry, University of Southern California, Los Angeles, California 90089, USA
2. Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA
3. Molecular Sciences Software Institute, Blacksburg, Virginia 24061, USA
4. Department of Chemistry and Center for Theoretical Biological Physics, Rice University, 6100 Main Street, Houston, Texas 77005, USA
5. Department of Mathematics and Computer Science, Freie Universitt Berlin, Arnimallee 6, 14195 Berlin, Germany
6. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, USA
7. Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, USA
8. Electrical and Computer Engineering, Rutgers The State University of New Jersey, Piscataway, New Jersey 08854, USA
9. Department of Bioengineering, Stanford University, Stanford, California 94305, USA
10. Department of Chemistry, Department of Bioengineering, Department of Chemical and Biomolecular Engineering, Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720, USA