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

Albert mailmd2011 at gmail.com
Thu Aug 7 14:52:43 CEST 2014

Hi Joao:

thanks a lot for kind reply.

I don't get the point how to use it properly. I am trying to insert


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
[ 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

it seems doesn't work...



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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