This is a collection of charge transport tutorials using the VOTCA-CTP package, http://www.votca.org Python-based visual tutor can be run using tutorial.py It requires Python with the wx package installed. All tutorials contain a run.sh with a simple workflow example. Charge transport in Alq3 (alq3 folder) alq3/MD_FILES gromacs configuration and topology of 512 molecules alq3/QC_FILES gaussian ZINDO orbitals and optimized molecules alq3/MP_FILES gdma output - partial charges and polarizabilities for a neutral molecule and cation -- The development of VOTCA is mainly funded by academic research grants. If you use this package, please cite the following paper: Microscopic simulations of charge transport in disordered organic semiconductors, V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier, D. Andrienko, J. Chem. Theory Comput., 2011, 7 (10), pp. 3335–3345 Please post questions in the google discussion group at http://groups.google.com/group/votca-ctp -- Note for developers: changes in the tutorial.py will be overwritten by tutor.wxg in the wx folder.