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

From: Jason Swails <>
Date: Sat, 27 Feb 2016 10:01:59 -0500

> On Feb 27, 2016, at 9:34 AM, David A Case <> wrote:
>> 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
> change.
> 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....

This has already been done, and I think it's pretty robust. The main thing we are working on now is updating tests for new defaults.

All the best,

> ...dac
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Received on Sat Feb 27 2016 - 07:30:03 PST
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