Try this:
http://mayoresearch.mayo.edu/mayo/research/camdl/zinc_protein.cfm
it's the best Zn force field for amber.
On Sep 29, 2009, at 5:31 PM, Rubben Torella wrote:
> 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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>>
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Roman Osman
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Received on Tue Sep 29 2009 - 17:30:01 PDT
