[gmx-users] RE: How to output a single index group

Omer Markovitch omermar at gmail.com
Tue Jan 20 14:06:19 CET 2009

Also check out "make_ndx -help". Omer.

Koby Levy research group,
Weizmann Institute of Science.

On Mon, Jan 19, 2009 at 18:28, Vitaly Chaban <vvchaban at gmail.com> wrote:

> > I am running a simulation of 50000 time steps and am trying to avoid
> setting
> > nstxtcout = 1 or nstxout = 1.  The file size becomes unmanageable if I
> set
> > either of these two parameters to 1.  I do not need the coordinates for
> all
> > atoms in the system, just the alpha carbons, which are grouped in the
> index
> > file, but I do need coordinates for each time step.  Is there any way of
> > specifying in the parameter file to only output the coordinates for the
> alpha
> > carbons?  Thanks!
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