Merge pull request #8 from juliebehr/liquids

Modified output frequency
trial of removing equil function, check for convergence
fix self.smiles_strings
fixed error referencing nonexistent equil pdb file
reinstated equilibrate(); changed production() so running equilibrate() is optional
corrected parameters
Merge pull request #10 from juliebehr/simple_equil

use detectEquilibration to determine length of production
Merge remote-tracking branch 'upstream/liquids' into liquids
removed prints from testing