Re: [AMBER] NetCDF trajectories in lower precision

From: David A Case <david.case.rutgers.edu>
Date: Wed, 13 Jun 2018 08:35:14 -0400

On Wed, Jun 13, 2018, Karolina MitusiƄska (Markowska) wrote:
>
> 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.

Note that what you quote above is in the section "Options for Amber
ASCII format", and does not apply to netcdf trajectory files.

And, to you original question: the answer is no, you cannot lower the
precision of coordinates in the netcdf format: they are already at the
single precision floating point level. And even if you could devise a
way to write things in lower precision, no (existing) programs would be
able to read such a file.

....dac


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Received on Wed Jun 13 2018 - 06:00:05 PDT
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