CCL: Mm with metals

The program PC-Model by Serena Software and the MMX force field actually does a pretty good job with metal complexes and has some pretty decent options for conformational searching. Itâs not free but is pretty reasonably prices.

My $0.02,

-david

David E. Reichert, PhD.

Asst. Professor of Radiology

Washington University School of Medicine

 

e-mail: reichertd:~at~:wustl.edu

voice: 314-362-8461

fax: 314-362-9940

web: http://scoobie.wustl.edu/

 

From: owner-chemistry+reichertd==mir.wustl.edu:~at~:ccl.net [mailto:owner-chemistry+reichertd==mir.wustl.edu:~at~:ccl.net] On Behalf Of P.D.Jarowski:-:surrey.ac.uk
Sent: Friday, December 10, 2010 11:32 AM
To: Reichert, David
Subject: CCL: Mm with metals

 

Hi, I am looking to do some conformation searching on some large systems involving square planar metal centers with organic ligands. What are your thoughts on the available ffs for metals and what programs are available to implemment them?

Again, I am always looking for freeware, but others would be appreciated too. Thanks,

Peter

***Sent via RoadSync for Androidâ


The material in this message is private and may contain Protected Healthcare Information (PHI). If you are not the intended recipient, be advised that any unauthorized use, disclosure, copying or the taking of any action in reliance on the contents of this information is strictly prohibited. If you have received this email in error, please immediately notify the sender via telephone or return mail.