diff --git a/src/colvar/CS2Backbone.cpp b/src/colvar/CS2Backbone.cpp index 3c228c9c78b48145a552addf10805c643661230a..d21ad75f0391937435da13a5d78a78de6d051ed5 100644 --- a/src/colvar/CS2Backbone.cpp +++ b/src/colvar/CS2Backbone.cpp @@ -275,7 +275,9 @@ PLUMED_COLVAR_INIT(ao) /* this is a workaround for those chemical shifts that can result in too large forces */ a.remove_problematic("GLN", "CB"); a.remove_problematic("ILE", "CB"); - a.remove_problematic("PRO", "N"); a.remove_problematic("PRO", "H"); + a.remove_problematic("PRO", "N"); + a.remove_problematic("PRO", "H"); + a.remove_problematic("PRO", "CB"); a.remove_problematic("GLY", "HA"); a.remove_problematic("GLY", "CB"); /* this is a workaround for those chemical shifts that are not parameterized */ a.remove_problematic("HIE", "HA"); a.remove_problematic("HIP", "HA"); a.remove_problematic("HSP", "HA");