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 2023-11-10