Dear Jason,
As you pointed out, the first line of parmed file was
(#!/mnt/c/amber20/miniconda/bin/python), pointing to the right miniconda
installation in the AMBER directory. Still the problem persisted.
So I did a fresh installation of AMBER and now it is working fine.
I don't know what went wrong before.
Thanks for your help..
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On Mon, Nov 8, 2021 at 7:29 PM Jason Swails <jason.swails.gmail.com> wrote:
> On Sat, Nov 6, 2021 at 6:34 AM Sangeetha B <jvbsangeetha.gmail.com> wrote:
>
> > Dear Jason,
> >
> > That was my silly mistake.
> > I found this string in the modified ff, which I ignored to check because
> I
> > never got any warnings before.
> > Correcting it solved my problem and I am able to convert the topology.
> >
> > Thanks a lot for pointing that out.
> >
> > But still the problem of "parmed doesn't load" still exists.
> >
> > When I try to load parmed by typing "parmed" in the terminal, I get the
> > following error.
> >
> >
> > Traceback (most recent call last):
> > File "/mnt/c/amber20/bin/parmed", line 33, in <module>
> > sys.exit(load_entry_point('ParmEd==0+unknown', 'console_scripts',
> > 'parmed')())
> > File "/mnt/c/amber20/bin/parmed", line 25, in
> importlib_load_entry_point
> > return next(matches).load()
> > StopIteration
> >
> > Any help regarding this?
> >
>
> There is clearly a problem with the installation of the ParmEd executables
> (although the libraries are installed correctly). What are the contents of
> $AMBERHOME/bin/parmed? In particular, the first line is important (called
> the "shebang" or "shell-bang" line), since it specifies the
> executable/shell that should be used to execute the rest of the script.
>
> It *should* be `#!/mnt/c/amber20/miniconda3/bin/python` or something like
> that (it should point to the miniconda installation inside the Amber
> install directory itself). If it reads something else, then it's likely
> trying to execute the script with a Python executable that doesn't know
> where to look for ParmEd (and therefore can't find it).
>
> If you installed AmberTools using CMake according to the directions in the
> manual, ParmEd should have been installed correctly. That said, it's
> difficult to tell why your parmed is trying to load with the wrong Python,
> as there are a lot of different ways this could happen.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Tue Nov 09 2021 - 03:00:03 PST
