Can we use AIM 2000 software for the large bio molecules?

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Angana Ray

I personally have not used AIM2000 software, but from what I see is that for optimization the software uses quantum chemical calculations. Hence, it may become costly in terms of computation power if one tries to optimize whole DNA by QM only. Also, it does not show QM-MM option here at this link: http://www.aim2000.de/help/helpindex.htm

Vladimir Potemkin

You can try ChemoSophia Large Molecular Systems service (www.chemosophia.com) including the following programs: search for critical points (electron properties estimation), integration of atomic basins, calculation of physicochemical properties, and many other things for molecules up to 10 000 atoms. Just add an sdf-file , choose the service Large Molecular Systems and calculate for free now.

Radhika Geethu

Thank you so much for your valuable suggestion sir.. I will try for it......