Lennard-Jones parameters for fluorine atom

[s_aarono at EDUSERV.ITS.UNIMELB.EDU.AU]

> hi, all;
> 
> I'm working on a small molecule with fluorine atoms attached to a benzene
> ring, but it seems there're no Lennard-Jones paremeters for F available in
> X-PLOR.  Any hint on this is greatly appreciated.
> 
> 					Wanyi
> 				wzhang at cabm.rutgers.edu
> 

Take a look at the X-plor web site http://xplor.csb.yale.edu/

Then go to http://xplor.csb.yale.edu/tutorial/toppar/parameter.elements

There is a list of Lennard-Jones parameters for all elements there

Hope this helps

Aaron

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