hi,
it seems that you installed ambertools via conda binary distribution. In
this case, you need to explicitly set AMBERHOME for MMPBSA.py (non-conda
users normally source the amber.sh)
export AMBERHOME=/home/ravi/anaconda3
MMPBSA.py -h # should work
cheers
Hai
On Sun, Aug 18, 2019 at 3:47 AM shivangi agarwal <
shiviagarwalpharma.gmail.com> wrote:
> Hi
> I have successfully installed AmberTools19 in my system. Also generated
> ligand parameters using it. But I am doing MMGBSA calculations using
> MMPBSA.py, I am getting error:
>
> Command:
> *MMPBSA.py*
> Traceback (most recent call last):
> File "/home/ravi/anaconda3/bin/MMPBSA.py", line 41, in <module>
> from MMPBSA_mods import main
> File
> "/home/ravi/anaconda3/lib/python3.5/site-packages/MMPBSA_mods/main.py",
> line 42, in <module>
> from MMPBSA_mods.commandlineparser import parser
> File
>
> "/home/ravi/anaconda3/lib/python3.5/site-packages/MMPBSA_mods/commandlineparser.py",
> line 61, in <module>
> 'spc.xvv'))
> File "/home/ravi/anaconda3/lib/python3.5/posixpath.py", line 89, in join
> genericpath._check_arg_types('join', a, *p)
> File "/home/ravi/anaconda3/lib/python3.5/genericpath.py", line 143, in
> _check_arg_types
> (funcname, s.__class__.__name__)) from None
> TypeError: join() argument must be str or bytes, not 'NoneType'
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>
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Received on Sun Aug 18 2019 - 08:30:02 PDT
