[gmx-users] how to write in a script?

[Maurício Menegatti Rigo]

Try this:

 echo -e "1|14\nq\r" | make_ndx -f input.pdb

Hope it works!

o/



2014-08-07 9:52 GMT-03:00 Albert <mailmd2011 at gmail.com>:

> Hi Joao:
>
> thanks a lot for kind reply.
>
> I don't get the point how to use it properly. I am trying to insert
>
> #ifdef POSRES_UNK
>
>
> betwee the following two lines:
>
>
>
> ; position restraints for System of
> [ position_restraints ]
>
>
>
> It should be looks like the following after script:
>
>
>
> ; position restraints for System of
> #ifdef POSRES_UNK
> [ position_restraints ]
>
>
> can you elaberate more how to use it? I tried to run it with command:
>
> cat tmp.itp > ligand.itp << EOF
> ? #ifdef POSRES_UNK
> ? EOF
>
> it seems doesn't work...
>
> THX
>
> Albert
>
>
>
>
> On 08/07/2014 02:37 PM, João Henriques wrote:
>
>> Something like this. Edit it according to your needs.
>>
>> """
>> cat > file << EOF
>> #ifdef POSRES_UNK
>> EOF​
>> """
>>
>
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-- 
M.Sc. Maurício Menegatti Rigo
Núcleo de Bioinformática do Laboratório de Imunogenética
Departamento de Genética
Instituto de Biociências
Universidade Federal do Rio Grande do Sul - Campus do Vale
Av. Bento Gonçalves, 9500 - Bairro Agronomia - Prédio 43323 M
CEP:91501-970 Caixa Postal 15053
Porto Alegre, RS, Brasil
Tel: +55 51 3308 9938