diff --git a/src/colvar/Puckering.cpp b/src/colvar/Puckering.cpp index a27d1fa492d1de8d35ac9c557c18ad091dce3b92..56725c9ec9df88b2b9bbfe0f233c547e7e73a6cf 100644 --- a/src/colvar/Puckering.cpp +++ b/src/colvar/Puckering.cpp @@ -53,7 +53,11 @@ namespace colvar { as also discussed in \cite biarnes2007conformational . This implementation provides both a triplet with Cartesian components (qx, qy, and qz) and a triplet of polar components (amplitude, phi, and theta). - Applications of this particular implentation are to be published (paper in preparation). + Applications of this particular implementation are to be published (paper in preparation). + + \bug The 6-membered ring implementation distributed with this version of PLUMED leads to + qx and qy values that have an opposite sign with respect to those originally defined in \cite cremer1975general. + The bug will be fixed in a later version but is here kept to preserve reproducibility. Components of this action are: