Hi,
You should be able to do this with the 'onlyframes <range>' keyword of
the 'trajout' command, where <range> is a dash and/or comma-separated
list of numbers, e.g.:
trajin test.pdb
trajout out_frame.pdb pdb multi nobox onlyframes 27,56,83
The 'multi' keyword specifies that the output PDBs be written to
separate files rather than a single file with MODEL records. Let me
know if you have more questions.
-Dan
On Thu, Jan 15, 2015 at 12:45 PM, Mahendra B Thapa <thapamb.mail.uc.edu> wrote:
> Dear amber users,
>
> As mentioned several times in the previous AMBER archives, frame (say, 92)
> can be extracted using the input file as
>
> trajin test.pdb 92 92
> trajout out_frame_92.pdb pdb nobox
> go
>
> I am interested to extract multiple frames ( say, 56, 83, 27)
> as individual pdb files [ i.e.,
> out_frame_56.pdb, out_frame_83.pdb, out_frame_27.pdb]. If it is possible to
> modify above code, it will be good for me.
>
> Thank you,
> Mahendra Thapa
> University of Cincinnati,OH
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Jan 15 2015 - 12:00:14 PST
