I'm new to molecular dynamics and DFT. The aim was to study the Raman spectra of a molecule in a medium. As we know the Raman spectra of a molecule change due to the induced polarization in the presence of different solvent molecules. Since the GROMACS package can analyse molecules present in different solvents we can create boxes containing the molecule and different solvents. But since I'm new to the software I'm not sure if Raman Spectra generation is possible. Or is there some other software package I could use to fulfil the needs mentioned above.
Thanks in advance.