19.4.1 Dynamical Properties of Internal Coordinates

For the internal coordinates (bonds, angles, torsion angles, and improper torsion angles), the syntax is as follows:

         property ::= {GEOMETRY} [DYN moment-spec]
                      { ENERGY }

A `moment-spec' has the following syntax:

                         { M1  }
                         { M2  }
                         { M3  }
         moment-spec ::= { M4  }
                         { MIN }
                         { MAX }
                         { AVE }
                         { SD  }

GEOMETRY and ENERGY specify whether the geometric or energetic values should be used. DYN specifies that we are dealing with dynamical properties. M1 through M4 stand for the measures of the first through fourth moments as explained earlier. AVE is synonymous with M1, and SD is synonymous with M2. MIN requests the minimum value, and MAX requests the maximum value.