[gmx-users] how to find energy barrier between two cluster centroids?

[Seera Suryanarayana]

Dear gromacs users,

I have done 100ns simulation for a peptide with 50 residues length and
I generated clusters. Now I would like to calculate the energy
difference between two cluster centroids. I have gone through some
tutorials and I could not find how to find free energy difference.
Kindly tell me how to find the free energy difference between two
centroids.

Thanks in advance
Surya
Graduate student
India.