<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Thanks, But I guess the g_angle -ov option will give me an average angle for many different groups. <br>That will not be same as the angle between center of masses of different group .<br>For example If I have a molecule CH3-CH2-CH3, g_angle -ov can give me an average over angle H-C-H and C-C-C . But what I want is the angle CH3-CH2-CH3 .<br><br>So, I was wondering whether you can clarify a bit on how I can get it.<br>Thanks<br>Jagannath<br><br><br><br>--- On <b>Wed, 4/11/09, Mark Abraham <i><Mark.Abraham@anu.edu.au></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: Mark Abraham <Mark.Abraham@anu.edu.au><br>Subject: Re: [gmx-users] g_angle between center of mass of three groups<br>To: "Discussion list for GROMACS users" <gmx-users@gromacs.org><br>Date:
Wednesday, 4 November, 2009, 9:00 AM<br><br><div class="plainMail">jagannath mondal wrote:<br>> Hi,<br>> <br>> I know that g_dist gives the distance between the center of masses of two groups. But, I wanted to know whether it is possible to calculate angle between center of masses of three groups or not . I am not sure whether g_angle can calculate the angle between center of masses of three groups. If not, In that case, can anyone suggest suggest any other alternative ?<br><br>You should start by reading g_angle -h and g_sgangle -h. g_angle will calculate the average over a group of angles, which is similar to what you want.<br><br>Mark<br>_______________________________________________<br>gmx-users mailing list <a ymailto="mailto:gmx-users@gromacs.org" href="/mc/compose?to=gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a
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