Re: [AMBER] amber trajectory nc file to pdb ensemble

From: Thomas Cheatham <>
Date: Fri, 31 Jul 2020 16:45:45 +0000

> 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:

for guides and tutorials on CPPTRAJ.


AMBER mailing list
Received on Fri Jul 31 2020 - 10:00:02 PDT
Custom Search