[gmx-users] Entropy by total atoms

[nahren manuel]

Dear Gromacs Users,

I am calculating entropy from QHA and Schlitters formula to determine the entropy change in my proteinA-proteinB complex.
Since proA and proB are quite different in terms of number of residues, I am little confused if I should divide the entropy value with the number of atoms included for calculation (i have used only heavy atoms)

Best,
nahren



      
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