I'm running Windows 7 and
Open Babel 2.4.1 -- Oct 10 2016 -- 21:27:47
Does obabel sample dihedral angles from the input file, or does it sample
from the new dihedral angles?
On Wed, Nov 15, 2017 at 11:42 AM, Geoffrey Hutchison <
geoff.hutchi...@gmail.com> wrote:
> > Thanks for the reply. I've attached the structure, generated conformers
> and a plot of the RMSD from structure 1. Looking at the plot, you get an
> oscillatory behavior with the same "random" conformer being generated every
> 12 structures.
>
> What OS are you using? My guess is that you have a lousy random number
> generator. The default one in Open Babel isn’t very good, although on some
> platforms it’s replaced by the system RNG.
>
> Thanks,
> -Geoff
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