<div dir="ltr">Also check out "make_ndx -help". Omer.<br clear="all"> <br>Koby Levy research group,<br>Weizmann Institute of Science. <br><a href="http://www.weizmann.ac.il/sb/faculty_pages/Levy/">http://www.weizmann.ac.il/sb/faculty_pages/Levy/</a><br>
<br><br><div class="gmail_quote">On Mon, Jan 19, 2009 at 18:28, Vitaly Chaban <span dir="ltr"><<a href="mailto:vvchaban@gmail.com">vvchaban@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div class="Ih2E3d">> I am running a simulation of 50000 time steps and am trying to avoid setting<br>
> nstxtcout = 1 or nstxout = 1. The file size becomes unmanageable if I set<br>
> either of these two parameters to 1. I do not need the coordinates for all<br>
> atoms in the system, just the alpha carbons, which are grouped in the index<br>
> file, but I do need coordinates for each time step. Is there any way of<br>
> specifying in the parameter file to only output the coordinates for the alpha<br>
> carbons? Thanks!<br>
</div></blockquote></div><br><br></div>