Re: [AMBER] error in MD of modeled & docked protein - DAN complex

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Fri, 17 Dec 2010 23:34:33 +0530 (IST)

Thank you so much I have deleated these atoms now it working fine.
> On Fri, Dec 17, 2010, Sangita Kachhap wrote:
>>
>>
>> When I load it in tleap giving error that:
>> > mol = loadpdb cluster3_1.pdb
>> Loading PDB file: ./cluster3_1.pdb
>> Created a new atom named: P within residue: .R<DC5 108>
>> Created a new atom named: O1P within residue: .R<DC5 108>
>> Created a new atom named: O2P within residue: .R<DC5 108>
>>
>> These atoms were added by HADDOCK before docking these atoms were not there.
>
> Edit the pdb file HADDOCK makes to remove those atoms.
>
> ...dac
>
>
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Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH


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Received on Fri Dec 17 2010 - 10:30:03 PST
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