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Conformational search


#1

is there a option to get percentages of conformations in conformer search? because it’s gives only the energy of each conformer. but what i want is distribution of conformers,


#2

No. It’s a nice idea, although a paper we’ve just finished indicates that the conformer energies calculated by force field methods are really unreliable.

You can, of course, calculate the distribution from the energies using Boltzmann statistics.