Saturday, July 21, 2007
the cnt C60 pump working
Here is the pump actually pumping something, and other than the simulation with a broken C60, it probably always would have. The latest two versions of NE1 are alpha 8 and 9. I prefer to work in alpha 8 and did all previous simulations in it. However in addition to the DNA tools incorporated into alpha 9, there were also some revisions to the nano-dynamics simulator. Apparently it now contains "newer parameters" for simulating systems like the C60 pump. I simulated the pump in alpha 9, and it works. Go figure. I guess the next step would be to fill the reservoir with C60s and cut loose, complete with graphics by QuteMol.
Also, at some point here in the near future I need to take a few days off to finish another project; don't file a missing person's report or anything.