On Thu, Nov 04, 2021, Michael Shokhen wrote:
>
>The periodic water box is corrupted by minimization procedure.
>See scripts and figures below.
>I need your advice how to resolve the problem.
Here is a similar report:
http://archive.ambermd.org/202110/0048.html
Tom lists some ideas for exploring what is going on, and suspects that it is
"just" a visualization artifact. It's not clear that the original poster
last month ever supplied any files that would allow one to reproduce the
problem, so if you could do that, it would probably help.
....dac
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Received on Fri Nov 05 2021 - 07:00:02 PDT
