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Showing posts from June, 2011

Beginning

In this new addition I will be working on totally new problems using totally new approaches and totally new softwares. My work will be revolving around Organic reaction mechanism I will be doing molecular dynamics I should mainly be using AMBER and I don't know for some reason may be Gaussian, CPMD etc. I am going to use a new interface called "gambit" to generate geometries and the input files. Initial task is to learn Amber. Got ambertools installed and now I have to go through the tutorials.