On Sun, Jul 23, 2017, Shilpa Gupta wrote:
>
> I want to know how can we extract trajectory using ptraj in amber
> without periodic boundary condition, So that actual coordinates can be
> generated without reimaging them in the initial box.
Unless you actually request imaging (via the image or autoimage commands),
no "re-imaging" will be done.
You should certainly use cpptraj, not ptraj; the latter has been retired some
time ago.
....dac
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Received on Sun Jul 23 2017 - 13:00:03 PDT
