1. Indian Institute of Science Education and Research, Dr. Homi Bhabha Road, Pashan, Pune 411008, India
2. Karlsruhe Institute of Technology, Institute of Nanotechnology, Hermann-von-Helmholtz Platz 1, D-76344 Eggenstein-Leopoldshafen, Germany
3. Department Information Technology, UiT Arctic University Norway, Tromsø, Norway
4. Department of Chemistry, Faculty of Science, University of Helsinki, P.O. Box 55, FI-00014 Helsinki, Finland
5. Molecular Sciences Software Institute, Blacksburg, Virginia 24061, United States