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

From: Josh Berryman <>
Date: Sat, 23 May 2020 18:03:57 +0200

Unknown flags and input options? Sounds like a version mismatch, as you

On Sat, 23 May 2020 at 16:02, Samanta M <> wrote:

> 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 - 09:30:02 PDT
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