[gmx-users] Can I make make_ndx interactive?
mark.abraham at anu.edu.au
Wed Aug 4 04:17:27 CEST 2010
----- 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
> 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
> 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.
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