Merge pull request #1079 from RosettaCommons/aleaverfay/fix_some_etable_bugs
Fixing two bugs in the Etable energy calculation:
Near Etable.cc's line 930:
Making sure that the spline that ramps the attractive component of the energy to zero does not start before the analytic minimum (lj_sigma_) by taking one-past the bin index with the smallest value. This issue was uncovered w/ Rocco's recent addition of new atom types with radii > 4.5A (the traditional distance at which the splines start).
Near Etable.cc's line 1710:
Setting the maxd2 for hydrogen atoms to be the actual square distance at which the repulsive energy goes to zero. Before, it got clipped to just before this value for some atom type pairs.
Many non-cosmetic integration test changes expected. When all of Rocco's new atom types are enabled, the new atom types work fine, whereas, before several of his atom types "broke" the TableVsAnalyticEtable unit tests. The current set of atom types, however, work fine.