>
> >Lastly, has anyone carried out long and reasonable
> >Langevin simulation with Amber 8?
I looked at a 20 ns DNA simulation I ran, with the default nscm value.
I did the simulation in 1 ns "chunks", so there were 20 restarts. There was
certainly no overall translation or rotation...I have not yet looked for
any periodicities in the energies, but may do that. This was a 15-basepair
segment of DNA, with 950 atoms.
....dac
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Received on Sun Apr 10 2005 - 06:53:00 PDT
