[phenixbb] elbow

[Nathaniel Echols]

On Thu, Jun 13, 2013 at 12:50 PM, Mengbin Chen <mengbinc at sas.upenn.edu> wrote:
> So I added SMILES in Chemical string, but the conformation came out to be
> different than the input pdb file, even "none" was chosen for geometry
> optimization.

Could you please send us the input files off-list?  This may be a bug,
or it might simply be a misunderstanding about how to specify the
different parameters.

-Nat