Dear List,
I might be ignorant about NMR observables. Can you please guide me if there
is a way to calculate (1/r^6)¨(-1/6), which is the NMR averaged distance
from the trajectory? My MD runs are in presence of explicit solvent without
any restraints.
Many thanks,
Neha
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Received on Sun Apr 06 2014 - 20:30:02 PDT
