Hello,
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
help.
xin hu
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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
E-mail: Xin.Hu_at_ndsu.nodak.edu
xxh0541_at_hotmail.com
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Received on Wed Oct 24 2001 - 16:08:51 PDT
