Re: [AMBER-Developers] AT15_Amber11

From: Ross Walker <>
Date: Sun, 17 Jul 2011 06:10:46 -0700

> I think I recall adding this initially, but then removing it when
> others
> thought it should be an optional thing. (All you'd have to do is check
> for
> the existence of the $AMBERHOME/src/sander or pmemd directories)
> At this point, I think it should be omitted since that will render the
> patch
> applicable to AmberTools 1.5 and Amber 11 only, not AmberTools 1.4 +
> Amber
> 11 if that's what users want to continue using (for consistent PBSA
> versions, for example). Of course, if you need to make other changes
> to
> configure that will impose this restriction anyway, this may not be
> much of
> an argument.

But why not have an AMBER Tools patch that updates the configure script to
do this anyway? I have some tweaks to configure but most are minor,
adjusting compiler flags etc so 'hopefully' it won't open a complete set of
incompatibility worms. If it does I think we just have to 'REQUIRE'
AmberTools 1.5 in which case we should probably have an AMBERTools 1.5 patch
that updates the configure script to run the python automatically whenever
it is run and so make it easier for the user.

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 Sun Jul 17 2011 - 06:30:02 PDT
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