In this work, we considered the growth of the two surfaces (110) and (002) 
that predominantly determine the crystal morphology of isoniazid in i
different solvents methanol, ethanol, and isopropanol.
See Table 3 of the paper for further details of the systems simulated, 
https://www.sciencedirect.com/science/article/pii/S0009250918307358

The plumed_inh_cumd.dat file was used to carry out CuMD simulations.
The CuMD code can be found in the following GitHub,
https://github.com/Tarakk/plumed2/tree/CuMD

Download the plumed code from the github, compile PLUMED (version 2 or greater) with GROMACS (any version after 5.1.4).
Please check the reference for further details of the CuMD method and the parameters used in our simulations.

In each directory e.g., ethanol/nvt_ there is a file, 'colvar' that is the output of the CuMD simulation.
The solvent density calculation was obtained by postprocessing the simulation trajectories. 
A representative plumed_inh_solvent_density.dat file is present in the mother directory, and the output of this analysis 
can be found in the 'postprocess' directory in each of the systems 002/ethanol/nvt_3_cumd_0.2/postprocess_COM/.