[gmx-users] gmx distance

Deva Priya devapriyachem at gmail.com
Sun Oct 18 22:42:48 CEST 2015


I am trying to set up a calculation to measure distance between the
following groups.

group A = center of mass of a selection of atoms
group B = atoms of another group (all K atoms)

Is it possible to specify the command such that the distance output is the
average distance between group A and each atom of group B. So, the answer
could be reported as average distance between all K atoms and center of
mass of group B.

Any advice is greatly appreciated.


More information about the gromacs.org_gmx-users mailing list