Re: [AMBER] parmed issue

From: David Case <>
Date: Sat, 4 Jan 2020 22:16:27 +0000

On Sat, Jan 04, 2020, Ayesha Fatima wrote:
>export PYTHONPATH=/usr/bin/python
>export PYTHONPATH=/mnt/d/amber/amber18/

The above are both wrong, and the second one would overwrite the first
in any case.

Here's what you should do (if you have not already done so): accept the
offer to download the miniconda python when you run configure.

Then you will need to execute "source $AMBERHOME/" before
running Amber things that need parmed or other python tools. It's best
to put this into the startup files (e.g. $HOME/.profile or similar) so
that it will be done every time you log in.

[Aside: the script sets the PYTHONPATH variable; it itself is
not a valid PYTHONPATH.]

If you still have trouble, report the value returned by the command


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Received on Sat Jan 04 2020 - 14:30:02 PST
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