Energy parameters for metals

mrigank at aiims.ernet.in mrigank at aiims.ernet.in
Mon Jul 6 14:19:52 EST 1992


Hi
I am looking for energy parameters for metals 
in proteins
e.g.
IF Me = Zn, Fe, Ca, Cu
AND
   At = S, CBeta, N or O THEN

bond parameters for
 Me-At
Bond Angle Parametrs for
 Me-At-At
At-Me-At
Dihedral Parameters for
At-Me-At-At
X-Me-At-X

Lennard jones 6-12 potential  non-bonded parameters for
Me

We have data sets of AMBER, GROMOS so any suitable source
or the parameters directly.
____________________________________________________________

	Dr. Mrigank
	Dept. of Biophysics
	All India Institute of
	Medical Sciences, New Delhi 110 029, INDIA

e-mail vikram!aiims!mrigank at shakti.ernet.in





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