<div dir="ltr"><div>Hi,</div>
<div> </div>
<div>if you are interested in a particular angle (between a triad of atoms) you can specify it in angle.ndx file (to generate the angles run: mk_angndx -s topol.tpr -n angle.ndx)</div>
<div> </div>
<div>the -ov flag of g_angle will generate the angle trajectory and the -od flag will generate its distribution</div>
<div> </div>
<div>cheers<br><br></div>
<div class="gmail_quote">On Wed, Feb 24, 2010 at 10:22 PM, Carla Jamous <span dir="ltr"><<a href="mailto:carlajamous@gmail.com">carlajamous@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hi everyone,<br>please I'm trying to find a way to calculate the value of an angle during the time of my simulation. g_angle calculates a distribution or an average.<br>
<br>Thanks,<br><font color="#888888">Carla<br></font><br>--<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
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