Solvated systems here were built using SolvationToolkit (github.com/mobleylab/solvationtoolkit) version 0.41 and 0.42 (equivalent except for DOI assignment for the latter), except as noted.

Because of a bug in handling of insertion of CONECT entries in SolvationToolkit/openmoltools for systems containing water, water boxes were generated by taking GROMACS coordinate/topology files for solvated cyclohexane ('mobley_2689721') and ethanol ('mobley_2310185') from FreeSolv 0.5 and converting to PDB format via OpenMM 7.1 (reading via GromacsGroFile and GromacsTopFile and writing via PDBFile). 
