Entropy calculation output

GROMACS version: 2020
GROMACS modification: No

I am trying to use the combination of gmx covar and gmx anaeig with the -entropy flag to calculate entropies for model peptides. The output I recover is a simple number for each of the methods available. I would need the time evolution of the value, in order to check whether the calculation is converging. Is there an option available to recapitulate that result?


To get the evolution of your entropy you need to calculate it cumulatively, depending on your simulation time, let’s say at 2 ns, 4 ns, … and plot it.

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