Re: AMBER: 3fe-4s cluster parameter file generation

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 16 Sep 2008 10:47:00 -0700 (PDT)

> I am attaching the structure of my ligand. In that case is my prepc file
> connectivities alright.

No - look closely at the examples in

> http://amber.scripps.edu/doc/prep.html

I think what you want is (starting at top left and going clockwise)

 S M
 Fe M
 S E
 S M
 Fe M
 S M
 Fe M

LOOP
 <1st S to last Fe>

Bill
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Received on Wed Sep 17 2008 - 03:10:45 PDT
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