Re: [AMBER] Just for info

From: aishen <aishen.free.fr>
Date: Mon, 7 Sep 2020 17:55:31 +0200

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
>
>
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Received on Mon Sep 07 2020 - 09:00:04 PDT
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