Double Equilibrate
Multiple equilibration timesteps
deal with adding water to mixtures separately
Revert "deal with adding water to mixtures separately"

This reverts commit 36ed8d68e4771181bd1d6eec823710c07597df4c.
Identify water from cas_strings, add tip3p forcefield
add cirpy; cache results of CAS to smiles
looking for error causing boxes to expand
moved smiles strings into 'rungaff' loop of build()
Merge remote-tracking branch 'upstream/liquids' into liquids
modified output frequency
Output coordinates every 10ps (modified from 5ps)
removing unnecessary modules
Merge pull request #8 from juliebehr/liquids

Modified output frequency