After having had done molecular dynamics simulation i need to set up QM/MM calculations, kindly suggest some tutorial for the same; which could illustrate the need as well as the methodology for performing these calculations ?
Tutorial for Gaussian package is available here: http://gaussian.com/oniom_technote/
http://gaussian.com/oniom/
Here is a NAMD tutorial
www.ks.uiuc.edu/Research/qmmm/Tutorial/Tutorial.pdf
An Amber one
ambermd.org/tutorials/advanced/tutorial2/index.htm
GROMACS
www.grs-sim.de/cms/upload/Carloni/Tutorials/FMCP/QMMM_Tutorial_grsjuc.pdf
You may try this TAO toolkit: http://chem.wayne.edu/schlegel/Software/oniomtoolTAO/TAOtutorial.html
try the link below. It has tutorial for everything in Gaussian 09
http://blogs.cimav.edu.mx/daniel.glossman/data/files/Libros/Exploring%20Chemistry%20With%20Electronic%20Structure%20Methods.pdf
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