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.
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.
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