Sir,
Here are the answers of your questions
> what is the result of "echo $PYTHONPATH" ?
/apps/amber18/lib/python3.7/site-packages:/opt/amber18/lib/python3.7/site-packages
> do you have a parmed file in /apps/amber18/bin ?
Yes, we do have a parmed file in /apps/amber18/bin
> if you type "/apps/amber18/bin/pdb4amber" do you get a usage
statement?
$ /apps/amber18/bin/pdb4amber
The result :
Traceback (most recent call last):
File "/apps/amber18/bin/pdb4amber", line 33, in <module>
sys.exit(load_entry_point('pdb4amber==1.7.dev0', 'console_scripts',
'pdb4amber')())
File "/apps/amber18/bin/pdb4amber", line 22, in importlib_load_entry_point
for entry_point in distribution(dist_name).entry_points
File
"/apps/amber18/miniconda/lib/python3.7/site-packages/importlib_metadata/__init__.py",
line 558, in distribution
return Distribution.from_name(distribution_name)
File
"/apps/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
On Wed, 3 Mar 2021 at 19:01, 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
>
--
Jenny R.S
Sir Syed College,
Taliparamba,
Kannur,
Kerala
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Received on Wed Mar 03 2021 - 06:30:05 PST
