diff --git a/src/tools/RMSD.cpp b/src/tools/RMSD.cpp index bf90fe1eda99382c5b59cf15f3d16ecaef212108..1b7fbe06b8fe7fec7979c85622cba42e6fe9d4a8 100644 --- a/src/tools/RMSD.cpp +++ b/src/tools/RMSD.cpp @@ -335,7 +335,7 @@ double RMSD::simpleAlignment(const std::vector<double> & align, // this below enable the standard case for rmsd where the rmsd is calculated and the derivative of rmsd respect to positions is retrieved // additionally this assumes that the com of the reference is already subtracted. -//#define OLDRMSD +#define OLDRMSD #ifdef OLDRMSD // notice that in the current implementation the safe argument only makes sense for // align==displace