Re: [AMBER] Modifying prmtop/inpcrd files

From: Sam Walsworth (Researcher) <"Sam>
Date: Thu, 3 Feb 2022 18:49:01 +0000

Yes, that seems to have worked, thank you.

Sam
________________________________
From: David A Case <david.case.rutgers.edu>
Sent: 03 February 2022 17:54
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Modifying prmtop/inpcrd files

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 - 11:00:03 PST