Thanks , I was able to install in serial ,
497 file comparisons passed
1 file comparison failed
0 tests experienced errors
Test log file saved as logs/test_at_serial/2011-09-04_14-22-43.log
Test diffs file saved as logs/test_at_serial/2011-09-04_14-22-43.diff
I was not able to locate these files
On Sun, Sep 4, 2011 at 2:04 AM, Jason Swails <jason.swails.gmail.com> wrote:
> On Sun, Sep 4, 2011 at 1:05 AM, KIRTANA S <skirtana4.gmail.com> wrote:
>
>> I intend to use mmpbsa.py , to install Amber tools do I need to have
>> amber 11 installed in my directory .
>>
>
> MMPBSA.py has a good deal of functionality, some of which is only accessible
> through Amber 11. Those include GB models represented by igb=7 and igb=8,
> QM/MMGBSA, and decomposition analysis. Everything else (standard GB/PB
> calculations, 3D-RISM calculations, normal mode calculations, and
> quasi-harmonic approximation calculations) can all be done with just
> AmberTools 1.5.
>
> I am now using Amber10 and do not have permissions to where installed.
>> I tried to configure Ambertools,
>>
>> Possible error: AMBERHOME is expected to be home/amber11 but it is
>> currently /usr/apps/amber10
>> This will probably cause problems! Continue anyway?
>>
>
> Do not continue anyway. Reset AMBERHOME to point to where you are trying to
> install AmberTools 1.5. Note that MMPBSA.py expects all of the programs it
> uses to be found in $AMBERHOME/bin, so set your AMBERHOME accordingly.
>
> HTH,
> Jason
>
>
>>
>> Is there anyway I can install .
>>
>> Thanks
>> Kirtana
>>
>> _______________________________________________
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Sep 05 2011 - 16:30:04 PDT
