Erratum to: Journal of Molecular Modeling

DOI 10.1007/s00894-013-2032-4

During the submission of the corrected proof file, an unintentional error occurred by our carelessness and lack of attention. In the original paper, the corresponding author’s surname is incorrect. In this erratum, we state the correct version of the corresponding author’s name is “Mehdi D. Esrafili”.