Laboratory
Berkeley, CA 94720-8235
Email : nwmoria...@lbl.gov
Web : CCI.LBL.gov<http://CCI.LBL.gov>
ORCID : orcid.org/-0001-8857-9464<https://orcid.org/-0001-8857-9464>
On Mon, Jun 12, 2023 at 3:06 AM Henry Padley
<a46e12e1d431-dmarc-requ...@jiscmail.ac.uk<mailto:
have also tried SDF input). I
have tried Automatic and eLBOW AM1 QM settings. Might a different Geometry
optimisation software selectable within eLBOW generate the restrained
phenanthroline?
Any advice greatly appreciated.
Henry Padley, MSci
School of Pharmacy
University of Nottingham
This
