The main cause of the problem would be heating and equilibration process. I
think 20ps is too fast heating for the system, try heating upto 80-100ps and
another 800-900 ps of equilibration process before you run 15ns simulation.
Under what condition you are running 15 ns simulation. The problem is not
with iwrap. Hope this might help.
mani
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Received on Mon Aug 23 2010 - 15:30:03 PDT
