diff --git a/src/colvar/NOE.cpp b/src/colvar/NOE.cpp index 83974c17bc4d7f94a5e946a395b729a1b3efa957..6475dc33971389e39d63984d0bf5504aa841fd59 100644 --- a/src/colvar/NOE.cpp +++ b/src/colvar/NOE.cpp @@ -34,6 +34,7 @@ namespace colvar { //+PLUMEDOC COLVAR NOE /* Calculates the deviation of current distances from experimental NOE derived distances. + NOE distances are calculated between couple of atoms, averaging over equivalent couples, and compared with a set of reference distances. Distances can also be averaged over multiple replicas to perform replica-averaged simulations. Each NOE is defined by two groups containing the same number of atoms and by a reference distance, distances