Re: [AMBER-Developers] one week until code freeze

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 11 Feb 2014 17:35:46 -0500

On Tue, Feb 11, 2014, Romain M. Wolf wrote:
>
> One remark: I recently found out that my
> .nab applications are not recompiled when re-running a make without a
> complete clean before (or even a total config run first). I suppose that
> this is true also for various other sources. I stumbled over this when
> switching to a more recent gcc version. Since a full reset (re-config
> & re-make) is not too time-consuming, is this the recommended default
> procedure when making any changes to the system? I assume so.

Yes: if you change compilers, even between different versions of gcc, you
should re-run configure.

>
> Regarding the documentation: I have no changes, provided that everything
> continues to work as before. There is the problem with radii to be
> specified in tleap, depending on the GB or PB methods. You corrected
> this last time in my documentation. I would find it very helpful if
> somewhere in the doc (probably in the LeaP part), there would be a
> ***table*** with clear rules about which radii to use for what. This
> information seems a bit lost in the text alone. A table would make it
> stick out more clearly.

Thanks for the suggestion...I'll work on that.

...regards...dave


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Received on Tue Feb 11 2014 - 15:00:03 PST
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