Hello,
On Fri, Oct 22, 2010 at 3:42 PM, zhihong ke <ebelleke.gmail.com> wrote:
> Hi, I found MM_PBSA.py has been included into the Amber11 package.
> So if I have installed Amber11, do I need to install the MMPBSA.py again,
> as
> written in the tutorial A3?
> And is this MMPBSA.py a parallel version or a serial version?
>
I don't remember which version was released with Amber 11. I actually think
it was an older version, since Amber's release came a little to quick for
MMPBSA.py. If you do not see MMPBSA.py.MPI in the $AMBERHOME/src/mmpbsa_py
directory, then you should follow the instructions in Tutorial A3 to install
it. Note that the version on the Tutorial A3 website requires Python 2.6 or
later, whereas the version bundled with Amber 11, as I recall, does not (but
it's also not as new, and is missing key features and bug fixes most
likely). This will be cleaned up a lot with the next release, and problems
with installation should be largely eliminated.
Good luck!
Jason
>
> Thanks,
>
> Zhihong
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 22 2010 - 18:30:04 PDT
