[gmx-users] average coordinates

quantix1 at gmx.de quantix1 at gmx.de
Tue Dec 10 17:53:56 CET 2002


Hi Gromacsers,

is there a tool around which can calculate the average coordinates
from a trajectory? Of course this would not be a structure of a
molecule, but I'd like to pick the frame with the structure closest
to the average and use that as reference to compute the rmsd
changes over time.

Thanks,
Uwe

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