Hi,
On Thu, Mar 8, 2012 at 9:30 PM, Fouad Ballout wrote:
> Hi there,
>
> I have problems with generating conformers for a particular molecule using
> openbabel. Following the openbabel documentation I've used the following
> command line
>
> obabel input.xyz -O output.xyz --conformer --systematic
Hi there,
I have problems with generating conformers for a particular molecule
using openbabel. Following the openbabel documentation I've used the
following command line
obabel input.xyz -O output.xyz --conformer --systematic --ff GAFF
in order to find all local stable conformers using GAFF
