Cluster entropy distribution through gromacs?

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Dmitri Kireev

If one assumes that a structural cluster corresponds to a system's microstate, then S = kB Sumi(pi log(pi)), where kB is the Boltzmann constant and pi is the probability for the system to be in the i-th microstate (i.e., cluster). The probabilities can be readily calculated from the cluster populations.

Ishrat Jahan

It helps.Thanks Dmitri Kireev