[gmx-users] RE: How to output a single index group
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
> > nstxtcout = 1 or nstxout = 1. The file size becomes unmanageable if I
> > either of these two parameters to 1. I do not need the coordinates for
> > atoms in the system, just the alpha carbons, which are grouped in the
> > 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
> > carbons? Thanks!
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users