Re: [AMBER] NetCDF trajectories in lower precision

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Wed, 13 Jun 2018 10:32:44 +0000

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 - 04:00:03 PDT
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