Re: [AMBER] Modifying prmtop/inpcrd files

From: David A Case <david.case.rutgers.edu>
Date: Thu, 3 Feb 2022 12:54:14 -0500

On Thu, Feb 03, 2022, Sam Walsworth (Researcher) wrote:

> raise PackageNotFoundError(name)
>importlib.metadata.PackageNotFoundError: ParmEd

Most likely, you need to "source $AMBERHOME/amber.sh", which should set up the
proper PYTHONPATH. Put this command in your startup scripts (e.g.
~/.bashrc) if you want it done every time you login.

....dac


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Received on Thu Feb 03 2022 - 10:00:02 PST
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