Lennard-Jones Parameter Set

Robert D Scavetta scavetta at XTREME.UCR.EDU
Wed Jan 22 20:53:05 EST 1997


Hi all,

does anyone out there have a Lennard-Jones Parameter Set for Lu+3?

we have the following for Lennard-Jones Parameter Set for Lu+3 and would like
to obtain better and more accurate numbers:


NONBonded  LU+3    0.1000   1.150       0.1000   1.150     ! G U E S S


Better yet, is there a source that contains Lennard-Jones Parameter Sets for
all of the elements?


Been looking, haven't found anything, must be looking in the wrong place.



Thanks in advance.




-- 
Robert D Scavetta
Jurnak's Laboratory
Department of Biochemistry
1447 Boyce Hall
University of California
Riverside, CA  92521
email:	scavetta at xtreme.ucr.edu
phone:	(909) 787-4196
fax:	(909) 787-3590




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