I'm afraid not. :-/ You could try one of the other approaches like the
genetic algorithm, and see whether it progresses faster.
On Wed, 12 Dec 2018 at 21:45, Michele Galasso
wrote:
> Hello everyone!
>
>
> I am using the weighted rotor search implemented in Open Babel in order to
> search for
Hello everyone!
I am using the weighted rotor search implemented in Open Babel in order to
search for low-energy conformers of a huge molecule.
Since the total number of rotamers is of the order 10^16, I cannot explore a
decent portion of the search space by running the code serially (I use
