You should not have to install MMPBSA.py again since you have install Amber
11, although you may want to apply the MMPBSA.py patches (
http://ambermd.org/tutorials/advanced/tutorial3/py_script/mmpbsa_patches.html)
and re-compile to fix a few bugs in the script.
The python script for calculating MM-PBSA can be performed in serial or in
parallel. MMPBSA.py is the serial version of the python MM-PBSA script.
MMPBSA.py.MPI is the parallel version.
Good luck!
-Bill
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?
>
> Thanks,
>
> Zhihong
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Fri Oct 22 2010 - 13:00:04 PDT
