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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