message: changed assignment method
diff: @@ -306,14 +306,15 @@ void CNNScorer::get_net_output(Dtype& score, Dtype& aff, Dtype& loss) {
  void CNNScorer::setLigand(const model& m){
  if(ligand_atoms.size() == 0){ // Do once at setup
  - ligand_atoms = atomv(
  +
  + ligand_atoms.assign(
  m.get_movable_atoms().cbegin() + m.ligands[0].node.begin,
  m.get_movable_atoms().cbegin() + m.m_num_movable_atoms
  );
  }
  // Coordinates need to be updated at every call
  - ligand_coords = vecv(
  + ligand_coords.assign(
  m.coordinates().cbegin() + m.ligands[0].node.begin,
  m.coordinates().cbegin() + m.m_num_movable_atoms
  );
  @@ -333,9 +334,12 @@ void CNNScorer::setReceptor(const model& m){
  if(receptor_atoms.size() == 0){ // Do once at setup
  + sz size = m.get_movable_atoms().size() + m.get_fixed_atoms().size();
  +
  + receptor_atoms.reserve(size);
  +
  // Insert flexible residues movable atoms
  - receptor_atoms.insert(
  - receptor_atoms.end(),
  + receptor_atoms.assign(
  m.get_movable_atoms().cbegin(),
  m.get_movable_atoms().cbegin() + m.ligands[0].node.begin
  );
  