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The physical module: contributions to the objective function

The physical module defines all of the physical restraint types (see Table 6.1). It also defines a physical.values class, which allows values for some or all of these types to be specified, for use as energy scaling parameters, cutoffs, etc.

Please note that the physical restraint types are currently hard-coded into the MODELLER program; you cannot add new types.


Automatic builds 2012-08-29