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I have heard in the AMBER suit a new MD code has been available, ROAR. It can do coupled potential (QM/MM) dynamical simulation. I am wondering how big a molecule can this QM/MM/MD do? say hemoglobin(4 chains with heme)? Get your FREE E-mail at http://mailcity.lycos.com Get your PERSONALIZED START PAGE at http://personal.lycos.com %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%