[gmx-users] Re: Can I make make_ndx interactive?
Jennifer.Williams at ed.ac.uk
Tue Aug 3 17:19:25 CEST 2010
I realised "flags" is not part of the command.
!! Sorry for the silly question. It's the end of a long day and I'm tired!
Quoting Jennifer Williams <Jennifer.Williams at ed.ac.uk>:
> 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
> 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?
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.
More information about the gromacs.org_gmx-users