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Re: What all information could be derived from running Molecular Mechanics calculations??

Siddheshwar Chopra

Dear Sir,
Somebody please help me. This question is related to running samples like DNA on a low configuration laptop or PC. I am interested in knowing what all properties we could obtain running these MM calcs.


On Tue Feb 25 '14 12:02pm, Siddheshwar Chopra wrote
>Dear Sir,
>Pardon me for asking this non-Firefly specific question. Could anyone tell me what all information I can obtain from MM calculations? Is it only the structural properties or can we also get chemical, optical etc. properties?
>Is there any way of studying electron transport using Firefly?

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