Hi Dan,
many thanks for your help!
Sincerely,
Nick
_________________________
That is the correct order, yes.
-Dan
On Wed, Apr 11, 2018 at 9:09 AM, Nikolay N. Kuzmich <nnkuzmich.gmail.com>
wrote:
> Dear Dan,
>
> eventually I managed to transform the nc file into a text file:
>
> ncdump forces.nc > forces.cdl.
>
> In which order are the forces supposed to be listed there?
>
> [Frame1]
> [atom 1] Fx Fy Fz
> [atom 2] Fx Fy Fz
> ....
> [Frame2]
> [atom 1] Fx Fy Fz
> [atom 2] Fx Fy Fz
> ....
> etc
>
> Am I right?
>
> Thank you,
> Nick
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Received on Fri Apr 13 2018 - 15:30:03 PDT
