Hi,
On Sat, Feb 5, 2022 at 9:00 PM Suguna Sakkiah
<ssakkiah.c4therapeutics.com> wrote:
>
> Step 4: cd /$AMBERHOME and run ./amber.sh
You need to "source" amber.sh, not run it - otherwise the environment
changes are not permanent. E.g. do:
$> source $AMBERHOME/amber.sh
-Dan
>
> Step 5: change to the $AMBERHOME/test and run ./test_amber_cuda_serial.sh
>
> Then I got the pythonpath error message
>
> Regards
> Suguna
>
>
> From: David A Case <david.case.rutgers.edu>
> Sent: Saturday, February 5, 2022 8:13 PM
> To: AMBER Mailing List <amber.ambermd.org>
> Subject: Re: [AMBER] Could not import Amber Python modules! Centos 7
>
> Email from external sender: david.case.rutgers.edu<mailto:david.case.rutgers.edu>
>
> On Sat, Feb 05, 2022, Suguna Sakkiah wrote:
> >
> >Below the output of the command: $AMBERHOME/bin/parmed
> >ParmEd: a Parameter file Editor
> >Reading input from STDIN...
>
> OK...looks like things are working. Not sure why you are getting an error
> in running the tests. Just to be sure, can you say exactly what you did
> to obtain the error reported before?
>
> ....thanks...dac
>
>
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Received on Mon Feb 07 2022 - 06:30:02 PST
