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DIHEdral { <restraints-dihedral-statement> } END is invoked from the main level of X-PLOR. Invocation automatically turns on the CDIH energy flag (Section 4.5).
<selection> <selection> <selection> <selection>
<real> <real> <real> <integer>
adds a new dihedral angle to the restraints-dihedral database. The four selections have to be unique; i.e., each selection must select exactly one atom. The selections determine the four atoms that specify the dihedral angle. The first <real> number specifies the energy constant (C) in kcal mole rad, the second <real> number specifies the angle in degrees to which the dihedral angle is restrained (), the third <real> number specifies the range around the restrained angle (), and the <integer> number specifies the exponent (ed).
is a required parameter that specifies the maximum expected number of assignments. It has to be greater than or equal to the actual number (default: 400).
erases the restraints-dihedral database.
specifies the overall weight factor S.

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Sat Mar 11 09:37:37 PST 1995