On 17/07/2011 2:13 AM, santhu kumar wrote:
Hello all,
I have read many papers about using simulated annealing protocol along
with experimental data.
I have some questions about the protocol itself and would really
appreciate if some body clears it.
The general MD simulation gets the information about forces from FF
and starting with initial boltzmann distribution of velocities, the
atom velocities are updated using velocity verlet (or any other
integrators). But in the case of simulated annealing where there is
change in temperature how are the velocities updated? Are they
determined everytime from the temperature or are they updated by
integrators(I know it cant be possible by integrators as they dont
have the information about change in temperature).
See manual 3.7
Mark
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