Wednesday, May 9, 2007

long simulation of movement 114

Here's the long simulation of movement 114. To put it frankly, the sulfur teeth just don't get any bite on the rack. It is impossible to tell from this straight on view, but there are two rows of sulfur atoms, one on each layer of adamantane. The sulfur atoms on the pinion gear just slip right through. This slippage, and my desire to build a completely diamondoid rack, has made me decide to scrap the sulfur teeth on the rack. I will rebuild them out of adamantane. However at least all the hydrogen atoms are staying put.

Also this piece has 5159 atoms. I set the simulation for 4000 frames with 100 steps per frame. I am simulating it on a Pentium 4, 3.0 GHz, with one-half gig of ram. This simulation took 32 hours and 31 minutes. This is just to give you an idea of how computationally intensive these projects are.

More to follow.

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