Re: [AMBER] Error on applying MMPBSA.py Bug Fixes

From: George Tzotzos <gtzotzos.me.com>
Date: Fri, 17 Dec 2010 19:05:45 +0100

Hi Bill,

Once again many thanks for your help

George


On Dec 17, 2010, at 7:03 PM, Bill Miller III wrote:

> This is fine. The error is just trying to change a comment in the code, and
> should not affect installation. You should be able to proceed with the rest
> of the MMPBSA.py installation process.
>
> Good luck!
>
> -Bill
>
> On Fri, Dec 17, 2010 at 12:58 PM, George Tzotzos <gtzotzos.me.com> wrote:
>
>> I downloaded today the MMPBSA.py bug fixes from
>> http://ambermd.org/tutorials/advanced/tutorial3/py_script/mmpbsa_patches.html
>>
>> Applied them on the new MMPBSA.py tarball downloaded from
>> http://ambermd.org/tutorials/advanced/tutorial3/py_script/compile.htm
>>
>> patch -p0 -N < mmpbsa.patch.all
>>
>> produced the output below.
>>
>> My question is whether this is something to worry about or should one
>> proceed with the installation of MMPBSA.py.MPI
>>
>> Thanks in advance and regards
>>
>> George
>>
>>
>> patching file src/mmpbsa_py/MMPBSA.py
>> patching file src/mmpbsa_py/MMPBSA.py.MPI
>> patching file src/mmpbsa_py/mmpbsa_entropy.nab
>> patching file src/mmpbsa_py/Makefile
>> Reversed (or previously applied) patch detected! Skipping patch.
>> 1 out of 1 hunk ignored -- saving rejects to file
>> src/mmpbsa_py/Makefile.rej
>> patching file src/mmpbsa_py/utils.py
>> patching file src/mmpbsa_py/MMPBSA.py.MPI
>> Hunk #1 succeeded at 1020 (offset -3 lines).
>> patching file src/mmpbsa_py/utils.py
>> Hunk #1 FAILED at 4.
>> 1 out of 4 hunks FAILED -- saving rejects to file
>> src/mmpbsa_py/utils.py.rej
>>
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>>
>
>
>
> --
> Bill Miller III
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-6715
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber


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Received on Fri Dec 17 2010 - 10:30:04 PST
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