[gmx-users] Re: Can I make make_ndx interactive?

Jennifer Williams 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>:

>
> 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:
>
> 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?
>
> Thanks
>


-- 
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.





More information about the gromacs.org_gmx-users mailing list