[AMBER-Developers] changing headers, other cosmetic changes to Amber outputs

From: David A Case <david.case.rutgers.edu>
Date: Sat, 27 Feb 2016 09:34:55 -0500

On Fri, Feb 26, 2016, git repository hosting wrote:
> The project "git repository for AMBER":
> RCW: Sander header goes to v16. PMEMD header changed from Sander since
> PMEMD is no longer a subset of Sander to PMEMD and to v16. This breaks
> all the tests and means we can't use the same saved output for both
> pmemd and sander right now - bt I suggest we just update dacdif to strip
> this line from the comparisson. I can try to do this but would be good
> if someone can help so I can get other stuff done.

While I appreciate Ross' efforts here, I think this is making this effort
much harder than it needs to be. So much so that I am tempted to revert this

Here's what I think we should do:

Don't worry about such cosmetic things for now. Once we get to a space
where sander and pmemd pass all the tests (at least on some reference
platform), then it is easy to automate the process of making cosmetic changes
like this: see the $AMBERHOME/test/update script. I'll volunteer to make sure
this happens....


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Received on Sat Feb 27 2016 - 07:00:03 PST
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