[gmx-users] Center of mass motion removal

[Alex]

Hi all,

I have a droplet containing two molecules types of A and B in water.
Unfortunately, I forgot to use the comm-grps = AB flag in my mdp file of
simulations so, the whole droplet just drifting around inside water. Now at
this point, I wonder if there is a tool in gromacs to remove the center of
mass motion of the whole trajectory?

I have already applied the
gmx trjconv -pbc mol
Then
gmx trjconv -pbc cluster -center yes

However, as I knew, they can not stop the COM motion.

Thank you
Alex