[gmx-users] Can I make make_ndx interactive?

[Mark Abraham]

----- Original Message -----
From: Jennifer Williams <Jennifer.Williams at ed.ac.uk>
Date: Wednesday, August 4, 2010 1:47
Subject: [gmx-users] Can I make make_ndx interactive?
To: gmx-users at gromacs.org

> 
> Hi,
> 
> 
> Is there some way of making the make_ndx file interactive so 
> that I can include it in a script?
> 
> I would usually type in  "a C_O and O_C" to select my atoms
> 
> I've tried altering the example on the webpage for making 
> commands interactive:

That's for making commands *non*-interactive...
> 
> make_ndx -flags <<EOF
> a C_O OC
> q
> EOF -f nn_1.pdb
> 
> but -flags doesn't seem to be recognized. Does anyone know a 
> work around?

 -flags on the webpage indicates generically whatever flags you want to use... see the g_energy example there.

Mark

> 
> Thanks
> 
> Jenny
> 
> 
> 
> 
> 
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