--- trunk/OOPSE/libmdtools/Atom.cpp 2003/08/07 21:47:18 670 +++ trunk/OOPSE/libmdtools/Atom.cpp 2004/01/30 15:01:09 999 @@ -9,11 +9,12 @@ Atom::Atom(int theIndex, SimState* theConfig) { myConfig = theConfig; hasCoords = false; - + c_n_hyd = 0; has_dipole = 0; is_VDW = 0; is_LJ = 0; + is_charged = 0; index = theIndex; offset = 0; @@ -42,6 +43,7 @@ void Atom::setCoords(void){ if( myConfig->isAllocated() ){ + myConfig->getAtomPointers( index, &pos, &vel, @@ -54,7 +56,7 @@ void Atom::setCoords(void){ else{ sprintf( painCave.errMsg, "Attempted to set Atom %d coordinates with an unallocated " - "SimState object.\n" ); + "SimState object.\n", index ); painCave.isFatal = 1; simError(); }