Re: [AMBER] Zinc

From: Rubben Torella <rubben.torella.gmail.com>
Date: Tue, 29 Sep 2009 23:31:31 +0200

Ok the problem for the zinc is that you have to change in the .pdb file the
atom name form ZN to ZNA... try in this way!
For the other aminoacid, if ASP is not terminal, you have to change the atom
name...

2009/9/29 Sel Ercan <slmrcn.ymail.com>

> Hi all.
> I want to minimize 1WJD.pdb (hiv-1 integrase n-terminal domain). Loading
> pdb to xleap gives error about Zinc.
> Xleap gives these three errrors:
> FATAL: Atom .R<HIE 12>.A<HD1 18> does not have a type.
> FATAL: Atom .R<ASP 55>.A<OXT 13> does not have a type.
> FATAL: Atom .R<ZN 56>.A<ZN 1> does not have a type.
> can anyone tell me what to do? Is there any force field for zinc?
>
>
>
>
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Received on Tue Sep 29 2009 - 15:00:02 PDT
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