Sorry we're taking so long with this.
I tested tleap with 1-4 scaling on a fresh git pull on Friday. I compiled AT and amber with and without the changes and ran tests for AmberTools and Amber serial on both. The only test that behaved differently after the changes is titled "check tprmtop1.dif", which failed for legitimate reasons (the prmtop changed).
I think this is our first time changing actual code, so be duly warned. I'll (try to) push the changes in a few minutes. It'll take me a day or two more to generate and test patches for 1.4 and 1.5.
Do you want me to put a new top file in that test directory? I don't mind, but also understand if someone else wants to inspect first.
:-) Lachele
Dr. B. Lachele Foley
Complex Carbohydrate Research Center
The University of Georgia
Athens, GA USA
lfoley.uga.edu
http://glycam.ccrc.uga.edu
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Received on Mon May 09 2011 - 07:00:06 PDT
