Also check out "make_ndx -help". Omer. Koby Levy research group, Weizmann Institute of Science. http://www.weizmann.ac.il/sb/faculty_pages/Levy/
On Mon, Jan 19, 2009 at 18:28, Vitaly Chaban <[email protected]> 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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