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12.4.3 Maps and Construction Tables

The GLYMAP, PROMAP, and ALAMAP options specify the unit numbers for the default torsion angle maps (see Backbone Maps), for glycine, proline, and all other amino acids, respectively. Maps for individual amino acids can be selected specifically using the MAP and EMAX keywords for the backbone degree of freedom, see Backbone Degree of Freedom, for more information.

The GLYEMAX, PROEMAX, and ALAEMAX options specify the how much of the torsion angle maps are used for glycine, proline, and all other amino acids, respectively. When each map is read in, the minimum energy is determined. Then all entries which have energy within EMAX of this minimum are marked.

The PROCONS option specifies the unit number for the proline constructor file, see Proline Constructors. The ERINGPRO option specifies which constructors are used by energy. When the procons file is read, the minimum of the energy of ring conformations minus the constraint energy used to the hold the ring is calculated. All constructors whose energy difference is within ERINGPRO of the minimum difference are used for proline construction. Any constructors outside this range are ignored. If this option is omitted, then all constructors are used.

The STUNIT option specifies the unit number for the sidechain topology file. See Sidechain Topology, for more information.