>
> Did you modify any of the source code within Amber itself? Perhaps
> something I suggested for MMPBSA.py? (I can't remember if that was your
> thread originally or not). If so, the upgrade won't work on your tree.
Just to chime in- in my situation, I think it was my additions to
mdread.F90 to solve bad atom type errors in MMPBSA.
Best,
Kenneth
On Mon, May 4, 2015 at 11:59 AM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Mon, May 4, 2015 at 11:53 AM, Michael Shokhen <
> michael.shokhen.biu.ac.il>
> wrote:
>
> > Hi Kenneth,
> >
> > I guess I have indeed to do the same - installation of amber tools 15
> from
> > scratch.
> >
>
> Did you modify any of the source code within Amber itself? Perhaps
> something I suggested for MMPBSA.py? (I can't remember if that was your
> thread originally or not). If so, the upgrade won't work on your tree.
>
> You could always unpack a fresh copy of AmberTools 14 if you have a copy on
> your computer and --upgrade that (that way you could download a 25 MB
> upgrade instead of the 220 MB full distribution).
>
>
>
> > Did you completely delete from your computer amber tools 14
> > before the installation of 15?
> >
>
> No, this is not necessary. In fact, you should be able to simply unpack
> AmberTools15.tar.bz2 on top of your existing amber14 directory if you have
> Amber 14 installed (i.e., pmemd). If you don't have Amber 14 installed
> (just AmberTools 14), you might as well either unpack AmberTools15.tar.bz2
> into a separate directory or delete your existing amber14/ first.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Ask yourselves, all of you, what power would hell have if those imprisoned
here could not dream of heaven?
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Received on Mon May 04 2015 - 09:30:04 PDT
