Hi,
We are planning to buy a high end computing system for carrying out MD
simulations on molecular systems as large as a few hundred atoms (mostly
nucleic acids with small organic fluorophores covalently attached to them).
Apart from this, we also plan to carry out DFT level calculations on
similar molecular systems (mostly biological molecules) using "Gaussian".
It would be great if you can help us out with the best version of Amber and
the optimized system configuration (for example processor, RAM, etc.) for
carrying out such calculations. Our budget for the computing system
(excluding software) is around USD 3,000.
--
Best wishes
--
Ved Prakash
Research Scholar
Dr. Yamuna Krishnan's Lab
National Centre for Biological Sciences
Tata Institute of Fundamental Research
GKVK, Bellary Road,
Bangalore 560065, India
Phone: 09632160081
website: http://www.niser.ac.in/wiki/index.php/Ved_Prakash
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Received on Sat Jan 25 2014 - 08:30:02 PST
