You are right setting the all path manually do the tric !
thanks
Henri
On 07/09/2020 14:40, David A Case wrote:
> 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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 07 2020 - 09:00:04 PDT
