Running Guassian Now !!

Today was a busier day. It went in seminar which was very interesting and the topic was Protein Crystallization. I feel like posting a big blog on that but no time really...:)

Meanwhile....
I happened to learn this new software which can find the exact structure of a molecule which it will take minimizing the Gibbs Free Energy ! It can do this for lot many complex structures though I have done that for a very simple molecule called n-Butane.

DNA and other complex molecules aer designed with this software in the same way. Once the structure is made with drag and drop option, and adding particular atoms to the structure, the software is run and it minimizes the free energy of the molecule and adjusts the bond length's angles etc.

Hope I do the same for other complex molecules like DNA in near future. :D

I happened to do the same for a fullerene structure called C60. I happened to attach two hydrogen atoms on two carbon atoms of the structure, and then ran it to minimize the free energy. It made it so distorted that the football became a rugby ball...!!! Sometimes crazy things happen in that.

More to come on this soon.
~ R