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Dear Mikhail Veshtort, i have a doubt in defining Spin system in the Program. The spin system of my sample is like this, three protons connected to one boron. Which interactions will be considered If i give coordinates all four atoms (three protons+one boron) ? will the program considers the Heteronuclear dipolar couplings between Boron with the protons and homonuclear couplings among the protons or only heteronuclear dipolar couplings? Can you please clarify my doubt . thanking you Sincerely R.V.Sudheer Kumar
Mikhail Veshtort
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Jul 26, 2013, 9:12:41 AM7/26/13
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Dear Sudheer,
If your question is still relevant, here is the answer: All homonuclear and heteronuclear interactions will be included in the Hamiltonian. You can always check how your input files are interpreted by the program with the help of the -s option ("s" is for "show").