diff --git a/doc/colvars-refman-main.tex b/doc/colvars-refman-main.tex index 0e510c5db..6b4cb9cf6 100644 --- a/doc/colvars-refman-main.tex +++ b/doc/colvars-refman-main.tex @@ -1504,6 +1504,20 @@ small periodic cell.} \end{itemize} +\paragraph*{Example: ignoring PBCs in a distance between two groups.} Using \texttt{forceNoPBC yes} when defining a +\texttt{distance \{ ... \}} function lets Colvars ignore the minimum-image convention when computing the distance between the centers of mass of \texttt{group1} and \texttt{group2}. (Note that the centers of mass themselves are always calculated as weighted averages anyway). + +\begin{cvexampleinput} +\-colvar~\{\\ +\-~~name~d\\ +\-~~distance~\{\\ +\-~~~~forceNoPBC~yes\\ +\-~~~~group1~\{~\ldots~\}\\ +\-~~~~group2~\{~\ldots~\}\\ +\-~~\}\\ +\-\}\\ +\end{cvexampleinput} + \cvsubsec{Distances}{sec:cvc_distances}