GROMACS Tutorial

Summary

In this exercise, you calculated the free energy of hydration for ethanol in water (technically, the reverse of this process, but it's just a matter of flipping the sign, though you may want to demonstrate this on your own as a test of your skills!).

If you have suggestions for improving this tutorial, if you notice a mistake, or if anything is otherwise unclear, please feel free to email me. Please note: this is not an invitation to email me for GROMACS problems. I do not advertise myself as a private tutor or personal help service. That's what the GROMACS Users Forum is for. I may help you there, but only in the context of providing service to the community as a whole, not just the end user.

Happy simulating!

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