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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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sat Sep 03 2011 - 23:30:02 PDT
