Dear All,
Before we run the production MD, we have minimized the energy and equilibriated
the system. Especially we will keep the temperature constant. Then which force
drive the protein to converge? Why the protein do not reverse its already
completed MD process before it converges, leading to that the system will never
converge? Which computation technique is adopted so that the production MD will
be in the process of converging?
Cheers,
Acoot
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