try the -type option with dihedral<div><br></div><div>amit<br><br><div class="gmail_quote">On Fri, Jan 7, 2011 at 2:16 AM, Carla Jamous <span dir="ltr"><<a href="mailto:carlajamous@gmail.com">carlajamous@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Hi Everyone,<br><br>Please I'm trying to calculate one dihedral angle as a function of time during my simulation.<br>
For this, I used g_angle. In the manual (version 4.0.3) it says: the indexfile should contain atom-triplets or atom-quadruplets for dihedrals.<br>
<br>I put an atom-quadruplet in my index file, but when I run <br>g_angle -f .xtc -n .ndx -od .xvg <br><br>and I select the group of atom-quadruplets, gromacs crashes and shows this error message:<br>number of index elements not multiple of 3, these can not be angle triplets<br>
<br>So actually g_angle only calculates angles not dihedrals?<br><br>Thanks<br><font color="#888888"><br>Carla<br><br>
</font><br>--<br>
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