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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--
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 - 21:00:04 PDT
