Hello,
There are a couple of problems here. First, the installation instructions
say that you need Python version 2.6 or higher (2.6 or 2.7 from python
website) in order to use MMPBSA.py. Also, you need to use nab from
AmberTools 1.4 in order to install the nmode program used by MMPBSA.py.
Good luck!
Jason
On Sun, Sep 12, 2010 at 6:59 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
> Hello all
>
> I am installing python script for mm_pbsa in amber10.
> As instruction given in tutorial I have instralled mpi4py python module
> version
> mpi4py-1.2.1 in my home directory and my python version is Python 2.4.3 it
> has
> installed successfully.
>
> To install python script
> I download it move it to $AMBERHOME/src directory and unpack it, move to
> unpacked
> directory and typed make serial installation end with following error :
>
> make serial
> /bin/bash setup.sh
> Python version 2 detected. No file conversion necessary.
> /bin/cp MMPBSA.py *pyc /home/sangita/amber10/bin
> /home/sangita/amber10/bin/nab -o mmpbsa_py_nabnmode mmpbsa_entropy.nab
> mmpbsa_entropy.nab:58 fld 'ls_method' not in struct 'xo'
> mmpbsa_entropy.nab:58 operator '=': left operand has wrong class.
> mmpbsa_entropy.nab:58 unknown attribute 'ls_method'
> mmpbsa_entropy.nab:59 fld 'ls_maxiter' not in struct 'xo'
> mmpbsa_entropy.nab:59 operator '=': left operand has wrong class.
> mmpbsa_entropy.nab:59 unknown attribute 'ls_maxiter'
> mmpbsa_entropy.nab:60 fld 'ls_maxatmov' not in struct 'xo'
> mmpbsa_entropy.nab:60 operator '=': left operand has wrong class.
> mmpbsa_entropy.nab:60 unknown attribute 'ls_maxatmov'
> nab2c failed!
> make: [install] Error 1 (ignored)
> /bin/mv mmpbsa_py_nabnmode /home/sangita/amber10/bin
> /bin/mv: cannot stat `mmpbsa_py_nabnmode': No such file or directory
> make: [install] Error 1 (ignored)
>
> In my unpacked directory there was not such file when I checked it.
> So what I should do to install it.
>
>
> With regard
> Sangita Kachhap
> JRF
> BIC,IMTECH
> CHANDIGARH
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Sun Sep 12 2010 - 05:30:04 PDT
