Blockrots, refinement stage, solvation energy and slope analysis

[JosePereiraUA]

• Added blockrot movements to Mutators;
• Main algorithm is now divided in two stages:
  1. Sampling: Performs dihedral and crankshaft movements on backbone-only models, without Coulomb energy contributions.
  2. Refinement:
     • Adds side-chains;
     • Coulomb energy contribution is turned on;
     • Contact energy contribution is turned off;
     • Performs minimization steps between cycles;
     • Performs blockrot movements;
     • Step_size's are lowered.
• Added solvation energy (eSol) as an energy contribution;
• MonteCarlo Driver now contains a slope check every n steps where it analyses the energy history of the past steps by simple linear regression. The MonteCarlo cycle is interrupted if the structure is trapped a minimum and no significant energy change occurred for the chosen time window.

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TODO

• Refinement stage should have side-chain rotamer sampling by dihedral movements;
• Add Coarse Grain hydrogen bonding energy contribution;

[JosePereiraUA]

• Added CoarseGrain energy contributions to Forcefield/. Contains solvation energy.