Re: [AMBER-Developers] Two fixes for mdout_analyzer.py

From: David A Case <david.case.rutgers.edu>
Date: Wed, 30 Jun 2021 19:53:50 -0400

On Mon, Jun 28, 2021, Shiji Zhao wrote:

>I hereby propose 2 changes that fix mdout_analyzer.py.
>
>
> - Change line 73 of mdoutanalyzer/mdout.py to: self.num_terms =
> self.num_steps / self.properties['ntpr'] + 1

As far as I can see, this is already what line 73 says. Can you double
check?

> - Change line 226 of mdoutanalyzer/widgets.py to: fig.draw()

I can push this change to the master branch.

Is there a test case for this script?

...thx...dac


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Received on Wed Jun 30 2021 - 17:00:02 PDT
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