Gaps and PAMs

mrigank at aiims.ernet.in mrigank at aiims.ernet.in
Wed Jul 29 22:57:50 EST 1992


Hello
I am looking for energy parameters for following to be used 
in Energy minimization. I have sets of AMBER GROMOS and SCHERRAGA
So compatible with either will do. We can fine tune also. Actuallu its
for metal in the proteins like
if Me is metal then 
1.	Its paarmeters for Lennard Jones 6-12 potential

2.	C-alpha-ME, N-Me, S-Me, O-Me etc. 

3.	X-Me-X and Me-X-Me angle parameters

4.	X-Me-X-X dihedral angle parameter.

mainly for Me = Zn, Ca, Fe, Cu

Thanks

Dr.Mrigank,Ph.D
Deptt. Of Biophysics
AIIMS, New Delhi 110 029

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



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