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root/OpenMD/branches/development/src/applications/atom2md/openmdformat.cpp
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Comparing trunk/src/applications/atom2md/openmdformat.cpp (file contents):
Revision 1397 by gezelter, Mon Dec 7 22:11:59 2009 UTC vs.
Revision 1398 by gezelter, Tue Dec 8 22:17:02 2009 UTC

# Line 211 | Line 211 | namespace OpenBabel
211        OBMol* pmol = mols[i];
212        map<OBAtom*, int> atomMap;
213  
214 <      chainParser->PerceiveChains(*pmol, false);
214 >      //chainParser->PerceiveChains(*pmol, false);
215        molIsWater = false;
216        FOR_RESIDUES_OF_MOL(residue, *pmol) {
217          std::cerr << "residue = " << residue->GetName() << "\n";

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