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Log Normal Function

For POTEntial=LOGNormal, a logrithmic function is used (W. Rieping, M. Habeck, and M. Nilges, 2005):
\begin{displaymath} E_{NOE}^{class} = {\rm min}(ceil, S \ln( R/d ) ) \end{displaymath} (20.9)

where $S$ is the scale factor specified by the SCALe statement, and $d$ is specified by the ASSIgn statement:

\begin{eqnarray*} {\tt assign \quad <selection> \quad <selection> } \quad d \quad d_{minus} \quad d_{plus} \end{eqnarray*}


The distance $R$ is defined in Section 20.2.


Xplor-NIH 2024-09-13