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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: A Protein Structure with Up: Examples for Molecular Structure Previous: How to Set Up


A Protein Structure with Water or Ligands

This example shows how to include information about water geometry and parameters in the molecular structure generation. The user has to be sure to use the same parameter specifications in subsequent files that need the parameters. This information can be appended directly to the appropriate parameter file.

generatewater.inp



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