Dear AMBER users,
Is it possible to apply the Langevin dynamics a subset of the atoms? I need
to calculate correlation functions for the hydrogens of my system, and it
would be handy to apply Langeving dynamics only to the heavy atoms so that
the correlation functions are unnafected by the addition of the thermal
bath.
-Jose
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Received on Thu Jan 02 2014 - 12:30:02 PST
