There is an actual example on how to use 'nastruct' with CPPTRAJ available here:
https://amberhub.chpc.utah.edu/analisis-of-nucleic-acid-simulation/
Hope that helps!
Rodrigo.
On Fri, Jul 31, 2020 at 10:46 AM Thomas Cheatham <tec3.utah.edu> wrote:
>
>
> > I would like to know how to convert a 100ns .nc file into a pdb ensemble
> > of this trajectory? Is there any script for the same? An example would be
> > really helpful. Please let me know.
>
> The easiest way would be to use CPPTRAJ (to convert .nc to series of
> pdbs), but then if you are going this route why not just use CPPTRAJ to do
> the analysis with its nastruct functionality.
>
> As Dan would say, check out the manual, but you can also go look at:
>
> https://amberhub.chpc.utah.edu
>
> for guides and tutorials on CPPTRAJ.
>
> --tec3
>
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Received on Fri Jul 31 2020 - 10:30:03 PDT
