Hi, Gustaf,
no, it's not about the file size, it's about the data precision. In the
Amber manual I have found highprecision option
highprecision:
(EXPERT USE ONLY) Write with 8.6 precision instead of 8.3. Note
that since the width does not change, the precision of large coords may be
lower than 6.
but I would like to use something opposite - to lower the precision of
written/saved trajectories in NetCDF format.
Have a nice day!
2018-06-13 12:32 GMT+02:00 Gustaf Olsson <gustaf.olsson.lnu.se>:
> I’m not sure if I understand your question though you can decrease the
> write frequency to the output files:
>
> ntpr = 1000, ntwx = 1000, ntwr = 2000
>
> Writes out energy information every 1000 iterations, to the coordinate
> file (trajectory) every 1000 iteration and to the restart file every 2000
> iterations. Larger numbers means smaller file sizes though with data
> recorded less frequently. Just check the manual for details.
>
> Hope this was helpful?
> // Gustaf
>
>
> > On 13 Jun 2018, at 12:17, Karolina Mitusińska (Markowska) <
> markowska.kar.gmail.com> wrote:
> >
> > Hello Amber Users,
> >
> > is there a way to write/save NetCDF trajectories in lower precision?
> >
> > Best regards,
> > Karolina Mitusińska
> > PhD student
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Received on Wed Jun 13 2018 - 04:00:04 PDT
