Re: [AMBER-Developers] significant recent tleap changes

From: Ross Walker <>
Date: Sat, 12 Nov 2011 14:21:07 -0800

Hi Yong,

> Thanks!
> I already reverted the changes to leap. Tried to revert changes I made
> to
> sander, but can't do it. There is already conflict. But the sander code
> passed the test suite before I committed.

This was not my point. There is no need to just reverse out the changes. Why
not run some tests with the AMBER 11 released code and the current checked
in code and see if anything broke with prmtop generation etc? - You could
even 'volunteer' the students that wrote the code to do this. I'm sure
they'd love doing that. Then simply modify the code to put back in the 0's.
Why remove the functionality entirely???

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| | |
| Tel: +1 858 822 0854 | EMail:- |

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Received on Sat Nov 12 2011 - 14:30:04 PST
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