As per "Exploring Chemistry with Electronic Structure Methods" 3rd Edition book, R.E.D tool are used to calculate MM charges http://upjv.q4md-forcefieldtools.org/RED/
However the download link is not working.
1) Do you recommend other downloadable sotware compatible with windows?
2) Do you recommend other tutorials to follow to perform ONIOM job ?
BTW, I am using Gaussian 09 on supercomputer (Linux shell) and gaussiaview installed on my windows PC.
Hi Muhammad,
you can use TAO (A Toolkit to Assist ONIOM Calculations) is a toolkit to assist ONIOM calculations of biochemical systems
link:http://faculty.smu.edu/ptao/software.html
Package: http://faculty.smu.edu/ptao/software/taopackage/taopackage.tgz
Tutos: http://chem.wayne.edu/schlegel/Software/oniomtoolTAO/ONIOMTools_Tutorial.pdf
Examples: http://faculty.smu.edu/ptao/software/taopackage/taoexamplefiles.tgz
Gaussian 09 can kindly calculate the ESP charges for you, as calculated in the following work.
Article Silver−Sodium Ion Exchange Dynamics in LTA Zeolite Membranes
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