Discover cvff file

Yoram Puius puius at telico.bioc.aecom.yu.edu
Tue Apr 4 08:56:55 EST 1995


Hiya.  A while ago, I asked for -- and got -- advice on how to refine
hemes with Fe(II) _or_ Fe(III) in XPLOR.  I was told to pull the new charges
out of the Discover cvff force field.

Natch, I don't have access to it.  So could anybody send me the appropriate
file?  I think it would have all of the charges for the met-heme in it.
(This saves me the hassle involved in learned the quantum chemistry to calculate the charges on atoms in a met-heme myself! :)

Thanks muchly,
	Yoram
_____________________________________________________________________________
Yoram A. Puius                            Albert Einstein College of Medicine
puius at telico.bioc.aecom.yu.edu            Department of Biochemistry
M.D.-Ph.D.    Class of 1999 [?]           Bronx, NY  10461
_____________________________________________________________________________
		"GOOD ta meetcha!"	- Neelix
_____________________________________________________________________________




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