Re: [AMBER] MMPBSA/ Parmed error

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Wed, 3 Mar 2021 21:18:53 -0500

What's your setuptools version?

e.g: amber.python -c 'import setuptools as s; print(s.__version))'

Meanwhile, you can try the non-official fixes here:
https://github.com/Amber-MD/pdb4amber/issues/85#issuecomment-723529395

Hai

On Wed, Mar 3, 2021 at 9:33 AM Sruthi Sudhakar <sruthisudhakarraji.gmail.com>
wrote:

> I am facing an exactly same issue. I have this error for parmed, MMPBSA.py
> and pdb4amber.
> When I type pdb4amber -h, I am getting this message:
>
> Traceback (most recent call last):
> File "/opt/amber18/bin/pdb4amber", line 33, in <module>
> sys.exit(load_entry_point('pdb4amber==1.7.dev0', 'console_scripts',
> 'pdb4amber')())
> File "/opt/amber18/bin/pdb4amber", line 22, in importlib_load_entry_point
> for entry_point in distribution(dist_name).entry_points
> File
>
> "/opt/amber18/miniconda/lib/python3.7/site-packages/importlib_metadata/__init__.py",
> line 558, in distribution
> return Distribution.from_name(distribution_name)
> File
>
> "/opt/amber18/miniconda/lib/python3.7/site-packages/importlib_metadata/__init__.py",
> line 215, in from_name
> raise PackageNotFoundError(name)
> importlib_metadata.PackageNotFoundError: No package metadata was found for
> pdb4amber
>
> And for pamed -h
>
> File "/opt/amber18/bin/parmed", line 33, in <module>
> sys.exit(load_entry_point('ParmEd==3.2.0', 'console_scripts',
> 'parmed')())
> File "/opt/amber18/bin/parmed", line 22, in importlib_load_entry_point
> for entry_point in distribution(dist_name).entry_points
> File
>
> "/opt/amber18/miniconda/lib/python3.7/site-packages/importlib_metadata/__init__.py",
> line 558, in distribution
> return Distribution.from_name(distribution_name)
> File
>
> "/opt/amber18/miniconda/lib/python3.7/site-packages/importlib_metadata/__init__.py",
> line 215, in from_name
> raise PackageNotFoundError(name)
> importlib_metadata.PackageNotFoundError: No package metadata was found for
> ParmEd
>
> Kindly help.
>
> Regards,
> Sruthi Sudhakar
>
>
> On Wed, Mar 3, 2021 at 7:01 PM David A Case <david.case.rutgers.edu>
> wrote:
>
> > On Wed, Mar 03, 2021, Jenny 148 wrote:
> >
> > >ModuleNotFoundError: No module named 'parmed'
> > >I did source /apps/amber18/amber.sh
> >
> > Just to check:
> >
> > what is the result of "echo $PYTHONPATH" ?
> > do you have a parmed file in /apps/amber18/bin ?
> > if you type "/apps/amber18/bin/pdb4amber" do you get a usage
> statement?
> >
> > ...dac
> >
> >
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> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Wed Mar 03 2021 - 18:30:03 PST
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