[gmx-users] coordinates of the mass center

[Mark Abraham]

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