[AMBER] Amber18 with AmberTools20 test.serial FAILURES and ERRORS

From: Samanta M <samantamakurat.gmail.com>
Date: Sat, 23 May 2020 16:02:03 +0200

 Dear All,

Being quite new to amber I'm experiencing some difficulties with analyzing
the output for Amber18 combined with AmberTools20 test.serial after
installation. AmberTools tests were quite straightforward, and only the
numbers differed slightly, as it should. Yet, for Amber I'm seeing more
confusing .diff (some don't run at all due to "input files error") and I'm
not sure if it is a thing of Amber18/AmberTools20 combination, or the
installation. I believe that for those of you that are more familiar with
the package it will be just a short look at the file to see what's wrong.
158 file comparisons passed,32 file comparisons failed (4 of which can be
ignored),4 tests experienced errors.

I'm attaching the diff and .log file. As well as edited .diff and .log
containing only the part that worries me. Many thanks for any help.

Kind regards,
Samanta Romanowska

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Received on Sat May 23 2020 - 07:30:02 PDT
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