Re: [AMBER] MMPBSA using amberTools19

From: Ray Luo <rluo.uci.edu> Date: Sun, 18 Aug 2019 22:10:58 +0800

--
Ray Luo, Ph.D.
Professor of Structural Biology/Biochemistry/Biophysics,
Chemical Physics, Biomedical Engineering, and Chemical Engineering
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
On Sun, Aug 18, 2019 at 3:48 PM 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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