> > Thus I am a bit confused about it! >> > > I'm confused about the manual comment about only being meaningful with the > MD integrator, but we'll have to wait until someone who knows something > about LD can post!
For LD, the velocities will (should) get rescaled by the random thermal noise, that is- by the Langivin thermostat. With MD, the thermostat works like friction (positive or negative friction). So you see, that for LD, an initial velocity of zero should next be changed by the thermostat, while for MD the rescaling shouldn't work for zero. --Omer Markovitch. Koby Levy research group, Weizmann Institute of Science. http://www.weizmann.ac.il/sb/faculty_pages/Levy/
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