[gmx-users] coordinates of the mass center

[Berk Hess]

> Date: Mon, 26 May 2008 12:31:44 +1000
> From: Mark.Abraham at anu.edu.au
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] coordinates of the  mass center
> 
> yren at home.ipe.ac.cn wrote:
> > Dear GMX users:
> >    I want to calculate the coordinates of the  mass center of a protein in
> >  pdb format.  Does anyone know which function in GMX can realize this?
> > As far as I know,  g_dist offers the distance between mass center of
> > two groups without  provision mass center of the groups.
> 
> Manual section 8.14 refers to g_coord, but that seems not to exist any
> more. g_traj -com will probably work if you use trjconv to convert your
> .pdb file to a .trr file
> 
> Mark

So we should update the manual.

Note that most tools, including g_traj, can read pdb format directly,
so no conversion is required.

Berk.


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