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Avogadro uses the Monte Carlo method when you use a conformational searching?


#1

Hello, I’m new using the Avogadro software, I use the latest version and was installed on Windows 7. Currently I performed a conformational search for a molecule, but I have a doubt, because I don’t know if the software takes into account the Monter Carlo’s method when performs the conformational searching


#2

I’m not quite sure what you’re asking. There are multiple conformer search techniques in Avogadro:

Obviously, the systematic search is not Monte Carlo. The weighted search is stochastic, but it’s not officially Monte Carlo because of how the rescaling is done.


#3

Thank you very much for your promptly response.