On Fri, 2014-12-12 at 12:40 +0100, Francesco Pietra wrote:
> Hello: I compiled Linux gnu AmberTools14. However, my attempt to have
> Amber10 also compiled (as I did before with AmberTools12) failed.
> /opt/amber14/ambertools /opt/amber14/amber10
>
>
> export AMBERHOME=/opt/amber14
> export PATH/=$PATH\:$AMBERHOME/bin\:/opt/amber10/bin
> export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:$AMBERHOME/lib"
>
> I assume that Amber10 is no more compatible with. Could Amber10 be
> separately compiled withing the /opt/amber14/amber10 or isone dropping into
> a mess?
A couple other points: do *not* mix source code trees. i.e. do not put
the amber10 directory inside the amber14 directory (I'm not sure if you
are untarring AmberTools14.tar.bz2 and then untarring Amber10.tar.bz2
inside the amber14 directory that was created or if you are housing
everything inside an amber14 directory you created; but it seems to be
the former).
Also, Amber 10 (and Amber 11 at this point) are not easy to compile.
Given that sander is now part of AmberTools and the GPU version of pmemd
only works from Amber 12 and Amber 14, there is limited advantage to
keeping Amber 10 around... at least in my opinion.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Dec 12 2014 - 05:00:02 PST
