diff --git a/src/colvar/Puckering.cpp b/src/colvar/Puckering.cpp index 968a87e7af75b089747187a31db7eca7dc119bc4..13b00856b9e9845f7f6220cba35841c9ae3c2bee 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: