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Commit 5a1ec7fa authored by Giovanni Bussi's avatar Giovanni Bussi
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Merge branch 'v2.3' into v2.4

parents 318174e6 468cdd42
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src/colvar/Puckering.cpp
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...@@ -53,7 +53,11 @@ namespace colvar { ...@@ -53,7 +53,11 @@ namespace colvar {
as also discussed in \cite biarnes2007conformational . as also discussed in \cite biarnes2007conformational .
This implementation provides both a triplet with Cartesian components (qx, qy, and qz) This implementation provides both a triplet with Cartesian components (qx, qy, and qz)
and a triplet of polar components (amplitude, phi, and theta). 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: Components of this action are:
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