This is a test of the multisander thermodynamic integration: Run.0 and Run.1 do a short md with ordinary prmtop files, set up for regular toluene, and toluene with zero charges Run.lambda0 and Run.lambda1 do the same, icfe set, using multisander Hence, the results for Run.0 should match Run.lambda0, and those for Run.1 should match Run.lambda1, except for the DV/DL terms being computed.