Erratum to: J Mol Model

DOI 10.1007/s00894-009-0575-1

Unfortunately, an error occurred in the author affiliations. The corrected authoraffiliations are given here:

1. The number of the affiliation of the first author “Wen-zheng Xu” is NOT5” but “1, 2”. Because “Wen-zheng Xu” is the first author, the number of the affiliation should be “1, 2”. Thus, the authors and the corresponding affiliations should be corrected as following:

2. Due to my incaution and negligence, in the affiliation of the first author “Wen-zheng Xu”, the zip code is NOT10083” but “100191”. Thus, the correct affiliation is “1. School of Automation Science and Electrical Engineering, Beijing University of Aeronautics and Astronautics, Beijing100191, China; 2. College of Chemical Engineering and environment, North University of China, Taiyuan 030051, China”, as is corrected above.