message: Fix issue with out of box poses
  Don't break when seeing an out of box pose (inf energy) because not
  sorting by energy all the time - just skip over it.
diff: @@ -159,8 +159,7 @@ void refine_structure(model& m, const precalculate& prec, non_cache& nc,
  nc.setSlope(slope);
  quasi_newton_par(m, prec, nc, out, g, cap, user_grid); //quasi_newton operator
  m.set(out.c); // just to be sure
  - if (nc.within(m))
  - {
  + if (nc.within(m)) {
  break;
  }
  std::cout << m.get_name() << " | pose " << m.get_pose_num()
  @@ -400,7 +399,9 @@ void do_search(model& m, const boost::optional<model>& ref,
  sz how_many = 0;
  VINA_FOR_IN(i, out_cont)
  {
  - if (how_many >= settings.num_modes || !not_max(out_cont[i].e))
  + if (!not_max(out_cont[i].e))
  + continue; //may sort by something other than energy, so do not break
  + if (how_many >= settings.num_modes)
  break; // check energy_range sanity FIXME
  ++how_many;
  m.set(out_cont[i].c);
  