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NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases

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Next: Examples Up: Energy Statement Previous: Syntax

Requirements

The requirements for the partial energy terms that are turned on have to be satisfied in order for this statement to be successful. In most cases this means that at least the molecular structure, parameters, and atomic coordinates have to be well defined.



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