In AmberTools 1.5 the executables have changed to MMPBSA and MMPBSA.MPI
instead of MMPBSA.py and MMPBSA.py.MPI, respectively. The original scripts
are still present they are just in the src directory, though. The new
executable files call those python scripts when executed.
-Bill
On Thu, Sep 29, 2011 at 9:54 AM, George Tzotzos <gtzotzos.me.com> wrote:
> Hi everybody,
>
> Having installed AmberTools1.5 and Amber11 in parallel, I tried to run
> mmpbsa.py. I don't see in the bin directory a MMPBSA.py.MPI as in
> AmberTools1.4v.
>
> I run the tests of both serial and parallel installations (see below). So
> where's MMPBSA.py.MPI????
>
> Thanks in advance
>
> George
>
>
> Finished serial test suite for Amber 11 at Wed Sep 28 20:46:28 CEST 2011.
>
> 363 file comparisons passed
> 15 file comparisons failed
> 4 tests experienced errors
> Test log file saved as logs/test_amber_serial/2011-09-28_20-19-31.log
> Test diffs file saved as logs/test_amber_serial/2011-09-28_20-19-31.diff
>
> Finished parallel test suite for Amber 11 at Wed Sep 28 23:30:44 CEST 2011.
> Some tests require 4 threads to run, while some will not
> run with more than 2. Please run further parallel tests with the
> appropriate number of processors. See README for details.
>
> 296 file comparisons passed
> 0 file comparisons failed
> 4 tests experienced errors
>
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> 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 Thu Sep 29 2011 - 07:00:04 PDT
