RE: [gmx-users] g_angle between center of mass of three groups

fast, it to add COM virtual-sites to your atomistic topology, which will then also appear in your trajectory. Look in the manual on how to construct such virtual sites. Berk Date: Wed, 4 Nov 2009 21:11:49 +0530 From: jmondal2...@yahoo.co.in Subject: Re: [gmx-users] g_angle between center of mass

Re: [gmx-users] g_angle between center of mass of three groups

.  But what I want is the angle CH3-CH2-CH3 . So, I was wondering whether you can clarify a bit on how I can get it. Thanks Jagannath --- On Wed, 4/11/09, Mark Abraham wrote: From: Mark Abraham Subject: Re: [gmx-users] g_angle between center of mass of three groups To: "Discussion lis

Re: [gmx-users] g_angle between center of mass of three groups

jagannath mondal wrote: Hi, 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 cen

[gmx-users] g_angle between center of mass of three groups

Hi,   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 gro