how to add Zn Ca parameters

From: Xin Hu <>
Date: Wed 24 Oct 2001 18:08:51 -0500

I am trying to do a simple minimization of metalloproteinase. Because I am
only interested in the non-bonded
interactions for the ion Zn and Ca , the only parameters I need to add to
the force field are th r, epsilon and
charge. Does someone tell me how to do that? I try to edit the frcmod.pcy
with only Mass and NONBON
parameters and then "loadamberparams", after that the zinc and Ca were still
not recognized while loading the
pdb file.
And how to add the charge of ions? I am a newer for the amber program, I am
appreciated if someone give me a

xin hu

   Xin Hu
   Department of Pharmaceutical Science
   College of Pharmacy
   North Dakota State University
   Fargo, ND 58105
   Tel: 701-231-8298 (O)
         701-231-4360 (H)
   Fax: 701-231-7781
Received on Wed Oct 24 2001 - 16:08:51 PDT
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