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.