--- trunk/OOPSE/libmdtools/Molecule.hpp 2003/03/27 20:36:16 424 +++ trunk/OOPSE/libmdtools/Molecule.hpp 2003/03/27 20:39:09 425 @@ -14,6 +14,7 @@ typedef struct{ int nBends; // . . . . .. . .bends . . . . .. . int nTorsions; // .. . . .. . . torsions . . .. . . int nOriented; // .. . . . .. . oriented atoms . . . + int nExcludes; // . . .. . . . .exclude pairs.. . . . Atom** myAtoms; // the array of atoms Exclude** myExcludes;// the array of Excluded pairs