Re: [AMBER] amber16 pmemd cuda rst file

From: David A Case <david.case.rutgers.edu>
Date: Fri, 17 Jun 2016 08:01:04 -0400

On Fri, Jun 17, 2016, Hannes Loeffler wrote:

> > I understand that there is lots to do before a release, but it would
> > be great if this kind of change (changing the default format of
> > restrt files written by sander/pmemd) would be documented in a
> > changelog.

> Sure, this is all documented somewhere in the manual. But the keyword
> here is "somewhere". It would be desirable to find out about potential
> disruptive changes at a single place, clearly marked as such, e.g. a
> changelog as Marc suggests.

Point taken: we indeed should have documented the changes in a more prominent
location. I think Amber developers had internally stopped using formatted
output files for so long that we failed to appreciate how many workflows
relied on the original behavior.

Since many users are still in the process of converting to AmberTools16, I'll
add a "changelog"-like explanation to the web page to try to minimize the
"surpise" factor for others.

...thx...dac


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Received on Fri Jun 17 2016 - 05:30:02 PDT
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