On Mon, Sep 07, 2020, aishen wrote:
>
>
>
>!$AMBERHOME/bin/ambpdb -p TC5b.prmtop -c min1.ncrst > min1.pdb
>
>the answer is : /bin/bash: /bin/ambpdb: Aucun fichier ou dossier de ce type
This looks like $AMBERHOME is not being picked up inside the Jupyter notebook.
I'm not sure what the causes of this (or the solution) might be. As a test,
just manually expand out $AMBERHOME to its correct value inside your notebook.
>Every command has this kind of answer so at the beginning I thaught I
>did something wrong but I realised files were done !
Are you sure the files weren't already there from some previous work?
....dac
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Received on Mon Sep 07 2020 - 06:00:06 PDT
