CCL: suggestions needed.....

 Sent to CCL by: Vincent Leroux [vincent.leroux===loria.fr]
 Hi Rocky,
 I advise you not starting from scratch on such a difficult topic... this
 is simply insane IMHO.
 The CHARMm22 forcefield (the commercial version, not the one freely
 available from MacKerell et al.) contains parameters for those metals in
 combination with organic compounds.
 If you have InsightII installed on an old computer somewhere, you should
 dig into its data files to get the appropriate aminoh.rtf/parm.prm pair.
 That would give you a very good starting point for your studies - maybe
 after some tests you might find those parameters good enough for your
 work. Optimizing those might not be a sensible option already, so
 restarting from zero...
 Regards
 VL
 Le 25/11/10 16:52, rocky walden rocky.walden19%a%gmail.com a écrit :
 > Dear CCL users.
 >    Thank you for your valuable time.
 >    I am working on organometallic Compounds containing 6 carbon atoms
 > with a Metal atom Pt, Re, pd.
 >    Now i am planning to optimize them geometrically.
 >    I am also looking forward to continue my work focusing the
 > development of forcefields that which can explicitly  to treat Metal
 > atoms (like Pt, Pd, Os, Re, Ru, Fe) containing Organic compounds.
 >   So i kindly request all the computational chemistry experts. please
 > suggest me how to start from scratch  for the development of the
 > forcefield for specially Metal atom containing Organic Compounds.
 >
 > I also kindly request you to post me some links or some references
 > literature.
 > This is very helpful to me.
 >
 > Excuse me for my bad english.
 > Thank you in advance.
 >
 >
 > Regards
 > Walden
 >
 >
 >