[AMBER] Simulating protein with Fe atom

From: onetwo <twoone21.rediffmail.com>
Date: 25 Dec 2013 04:45:50 -0000

Dear All,

I have a protein which has a Fe at the active site, I want to do simulation. Fe is in co-ordination with one Asp residue, two histidines and one water molecule which plays a role in enzymatic activity.

I searched the archives, but couldn't find how to build parameters for Fe atom.

Your help will be highly appreciated.

And wish you all a Merry Christmas :)

Thanks and Regards
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Received on Tue Dec 24 2013 - 21:00:03 PST
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