I want to calculate the distance of each atom in a group from the center of mass of that group. how could I do that?
It should be mentioned that instead of “wrapped” coordinates (x,y,z), we should use “unwrapped” coordinates (xu,yu,zu) which are not accessible in variable command. This is important because when a group of atoms is passing through a PBC, it seems that the group is divided into two separate parts. The distances calculated by “wrapped” coordinates for the atoms in the part including com are correct but for the other part are bigger than the real values (as the com is near one side of the simulation box while those atoms are near the opposite side).
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