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Accuracy of computed energy

Lucas
lucassousamadureira@gmail.com


Dear all,
Questions have been arised about accuracy in my study.

The calculations have provided that the energy difference between two conformations is 0.7 kcal/mol

you may help me with that:

How accurate are the computed energies?

Is there a sense make a discussion with those values, if I have found the interaction which supllies the difference?

Best regards,
lucas


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