In modelling using molecular mechanics can one state that "all structural variations are energy driven?".

The statement is related to protein-ligand binding in modelling. Sometimes one can assess system by looking at structural stability on one hand but also on energy values. If all structure variations are energy driven, I think it makes more sense to focus more on energy than structure.

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    $\begingroup$ I don't understand either. In ambient conditions the structure is "driven" by the free energy, which also includes entropy! $\endgroup$ – Susi Lehtola Sep 21 '20 at 18:07
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    $\begingroup$ I might buy that all structural variations are driven by the gradient of the energy... $\endgroup$ – jheindel Sep 22 '20 at 3:51
  • $\begingroup$ @jheindel any literature reference on that? $\endgroup$ – BND Oct 17 '20 at 5:33
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    $\begingroup$ @BND no, when someone says "I might buy", it means they don't have a literature reference but they can believe it (although they are not 100% sure). This question can be re-opened if it's modified/improved, or if someone writes a comment saying that they'd like to answer it. $\endgroup$ – Nike Dattani Dec 28 '20 at 3:55