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The examples directory contains some instructive programs:

  • Example 1 uses some carbohydrate-specific features.
  • Example 2 demonstrates how to minimize structures (using an interface to SANDER).
  • Example 3 shows how to query a parameter set for force field information.
  • Example 4 shows how to specify residue mappings for loading PDB files.
  • Example 5 shows how to solvate a structure.