Re: [AMBER] CPPTRAJ: Wildcards for the frames to extract

From: Nikolay N. Kuzmich <nnkuzmich.gmail.com>
Date: Fri, 15 Jun 2018 18:15:01 +0300

Dear David,

thanks for the advice!

Kind regards,
Nick

On Wed, Jun 13, 2018, Nikolay N. Kuzmich wrote:
>
> I would like to ask you if applying of the wildcards for frames extracting
> is possible.
> The straightforward usage was unsuccessful.
> For example, there are 500 frames in a trajectory and the task is to
obtain
> every 5th frame as pdb file.

Try this:

trajin <filename> 5 500 5 # gets every fifth frame
trajout <filename.pdb> pdb <other options here> # writes them out as pdb

...good luck...dac
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Received on Fri Jun 15 2018 - 08:30:02 PDT
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