Re: [AMBER] To generate more than one structure using ptraj

From: Jason Swails <>
Date: Mon, 19 Mar 2012 11:17:12 -0400

On Mon, Mar 19, 2012 at 9:36 AM, Souvik Sur <> wrote:

> Hello
> Can you please suggest me how can I generate more than one structure (.pdb
> files) from ptraj using my .mdcrd files of simulation.Please help me
> regarding it.
> regards,

Just specify you want a PDB file on the trajout line:

trajout my_file.pdb pdb

This will create a separate PDB file for each frame it has stored (it will
be numbered, i.e. my_file.pdb.0, my_file.pdb.1, etc.).


Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
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Received on Mon Mar 19 2012 - 08:30:03 PDT
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