[AMBER] NetCDF trajectory file does not contain information about time/timestep

From: Markowska <markowska.kar.gmail.com>
Date: Wed, 15 May 2019 20:12:57 +0200

Dear Amber Users,

I would like to know, if something changes within trajectory writing
process by cpptraj in newest Amber/AmberTools.
I'm using a 3rd party Python library (MDAnalysis, maybe someone is familiar
with) to analyse trajectory files.
When I was using Amber14 and AmberTools16 to preprocess files, everything
was fine.
Now when I use Amber18/AmberTools18 to preprocess files (for example to
skip some frames) I'm getting errors that my trajectory file does not
contain informations about the time/timestep.

Did something change? And most important: how to make cpptraj to include
such information into the trajectory file?

Looking forward to help from you.
Best regards
Karolina MitusiƄska
PhD student
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Received on Wed May 15 2019 - 11:30:04 PDT
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