Check out the article by Kataev and co-workers, in which ORCA’s #GOAT algorithm is used to sample conformers of macrocycles.
onlinelibrary.wiley.com/doi/full/10....
Try GOAT yourself and check out our tutorial:
www.faccts.de/docs/orca/6....
#ORCA #CompChem #QuantumChem #Conformers #Macrocycles
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