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Next: Requirements Up: Harmonic Coordinate Restraints Previous: Plane Restraints

Syntax

restraints
HARMonic { $<$restraints-harmonic-statement$>$ } END is invoked from the main level of X-PLOR. This statement automatically turns on the HARM energy flag (Section 4.5).
$<$restraints-harmonic-statement$>$:==
EXPOnent=$<$integer$>$
specifies the exponent $e$ (default: 2).
NORMal=$<$vector$>$
specifies the normal vector $\vec{n}$. If $\vec{n}\neq(0, 0, 0)$, plane restraints are enabled (default: (0 0 0)).
NORMal= (0 0 0)
disables plane restraints.


Xplor-NIH 2024-09-13