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

From: case <case.biomaps.rutgers.edu>
Date: Fri, 17 Dec 2010 11:44:49 -0500

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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Received on Fri Dec 17 2010 - 09:00:07 PST
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