Hi Dave,
Still sitting around in Northern Thailand with excellent access to WiFi and even constant electric power (this is not New Jersey).
With no access to recent changes in the code, I might need to have the latest version of AmberTools (at least NAB) to make sure that my amberlite stuff is still working as expected. If there have not been major changes to output file formats (and to output to the screen also), everything should be fine. 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.
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.
---regards---romain
Romain M. Wolf
romain.wolf.gmail.com
On 10 Feb 2014, at 21:02 , David A Case <case.biomaps.rutgers.edu> wrote:
> Hi everyone:
>
> We have about one week until the code freeze for Amber14. Please do your very
> best to get things merged and cleaned up by then. Also, please get changes
> to the Manuals submitted; at a minimum, make sure you don't have local changes
> to the manuals that have not been pushed to git.ambermd.org.
>
> After the freeze, we will temporarily shut off write access to the
> repository at git.ambermd.org. We will be moving code around,
> re-organizing the manuals, and trying to establish which tests work and
> which don't. After about a week, we will turn on access again. Subsequent
> changes to the code should be restricted to bug fixes (exceptions need to
> be approved by me.) Changes to the Manuals will then need to be made in
> the reorganized .lyx files -- it is because of this reorganization that
> I am urging you to push your Manual changes now, when automatic merges
> should still work.
>
> ...thanks...dac
>
>
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Received on Mon Feb 10 2014 - 18:00:02 PST
