Thanks for quick reply
I have one confusion here I have installed amber10 with AmberTools-1.2
now how I use AmberTools-1.4 for MMPBSA.py. installation?
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
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Received on Sun Sep 12 2010 - 07:00:05 PDT
