On Mon, Oct 11, 2010 at 4:17 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi Jason,
>
> At the time CVS did not support links which is why this was the way it was.
> Maybe git supports links, I haven't looked. If it does then yes we should
>
I have a git repo that uses hard links. I'm pretty sure I've also used soft
links... In any case, I think git supports soft links.
probably have them as links. Linking sander to sqm though is not very
> elegant in my opinion. Since md.h and memory.h are really 'sander' files.
>
That's why my first instinct was to link md/memory.h in sqm to the versions
in sander.
> That said the reverse does not work because this stops AmberTools being
> stand alone.
>
This is why I changed my mind. And also why I think hard links will work
out just fine, since both directories will appear to "own" the file, but
changing one changes the other (and removing one leaves the other intact).
The other option, of course, is Lachele's idea, though that would take some
changing.
Thanks!
Jason
> All the best
> Ross
>
> > -----Original Message-----
> > From: Jason Swails [mailto:jason.swails.gmail.com]
> > Sent: Monday, October 11, 2010 12:52 PM
> > To: AMBER Developers Mailing List
> > Subject: [AMBER-Developers] sqm/sander shared files
> >
> > Hello,
> >
> > I was trying to add a couple namelist variables to sander, and it worked
> > just fine. Sadly, I managed to destroy the QM/MM interface, only to
> realize
> > that the changes I made to memory.h and md.h should have been translated
> > to
> > the corresponding files in the sqm source folder (I also modified ix
> > pointers). It seems like these files have to be identical (in substance,
> > not formatting) to one another to ensure that QM/MM works fine, so my
> > question is is there any reason why one is not a link to the other so
> > changing one changes the other?
> >
> > I'd say it's probably fine to make sander's md.h/memory.h a (soft, hard?)
> > link to sqm's since Amber is dependent on tools. If not, it's easy
> enough
> > to change both, but in that case I'd like to add a comment in both
> versions
> > to remember to modify the other one. Which route would we think is best?
> > I
> > like the links for convenience, but separate files may be safer -- i
> defer
> > to the experienced.
> >
> > Thanks!
> > Jason
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Graduate Student
> > 352-392-4032
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>
>
> _______________________________________________
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon Oct 11 2010 - 13:30:09 PDT
