[gmx-users] Output center of mass of each molecules in a system.

[Li, Shi]

Dear GMX users,

I want to output the center of mass of each molecule in my simulation box.
I think I should use gmx traj, with -com option. But this only gave me the
center of mass for the whole system. If my system only contains 100 same
solvent molecules, is there a method to output the center of mass for each
individual molecule in the system?

Thank you for any help!
Shi