Regarding gmx distance

GROMACS version:2020.2
GROMACS modification: Yes
Dear users,

I’d like to calculate distance between a center of mass on molecule and specific 3d coordinate in my simulation box(e.g. center of PBC).
Can I calculate it with gmx distance? As far as I understand, gmx distance calculate distance between a pair of atom or group, not distance between specific coordinate and a group.


here you can find the difference between gromacs tools that calculate distance. I hope it help to find the best tool


Hi Alessandra,
thank you for your reply.
I’ll check it.

Best Regards,