[gmx-users] chemical potential differences between two component liquids and crystal structures in gromacs

[Nathan K Houtz]

Hello everyone, 

I am interested in calculating the change in chemical potential between a metastable liquid, consisting or solvent and solute, and the crystal structure of the pure solute. For instance, one system I am looking at is tetrolic acid in CCL4 as my metastable liquid, and one of the polymorphs of tetrolic acid as the final crystal structure. I have looked through a couple tutorials on free energy calculations using gromacs, but I get the impression that this type of calculation may be less routine than say a solvation free energy which I came across. Can anyone tell me if this type of calculation is possible in gromacs, and where else I could be looking for directions as to how to proceed? 

Thank you,
Nathan