Re: [AMBER] How to extract selected residues from mdcrd to PDB file using ptraj?

From: Catein Catherine <askamber23.hotmail.com>
Date: Thu, 11 Aug 2011 12:06:41 +0800

Thank you very much Jason.

> Date: Wed, 10 Aug 2011 23:29:48 -0400
> From: jason.swails.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] How to extract selected residues from mdcrd to PDB file using ptraj?
>
> trajin xxx.mdcrd
> strip "!(:122-300,440-500)"
> trajout my_pdbs.pdb pdb
>
> On Wed, Aug 10, 2011 at 10:55 PM, Catein Catherine
> <askamber23.hotmail.com>wrote:
>
> >
> > Dear Sir/Madam,
> > I would like to extract selected residues from a trajectory to a series of
> > PDB file.
> > How can I do it using ptraj? What is the command to extract selected
> > residue (122-300, 440-500) to a PDB file
> > trajin ../xxx.mdcrd.gztrajout PDBfit/xxx.pdb pdb nobox nowrapstrip
> > :WATstrip :Na+
> > Best regards,
> > Catherine
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Wed Aug 10 2011 - 21:30:03 PDT
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