Hi,
You can use the 'strip' command to remove the stuff you don't want,
followed by 'trajout' to write the coordinates. See the manual for
command details.
-Dan
On Tue, Apr 4, 2017 at 12:46 PM, Aseel Bala <balaahme.msu.edu> wrote:
> Hi everyone,
>
> I have a netcdf file of an MD run of a binary mixture of butanol and
> cyclohexane molecules containing 500 frames.
> I would like to use AMBER (probably cpptraj) to create a pdb file that
> contains only the information of certain molecules (say molecules 1,5,20,25)
> in frame 10.
>
> Is there a command that I could use to do this?
>
> Thank you very much.
>
> --
>
> Aseel M. Bala
> PhD Candidate, Chemical Engineering
> Michigan State University
>
>
>
>
>
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> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Mon Apr 10 2017 - 12:00:02 PDT
