> dragged through a viscous liquid. I think this viscous effect has to > do with the algorithm and the time it takes at various steps. Is that > correct?
Basically, yes. The "snap back" depends on the force constants of the bonds (e.g., try alkane vs. benzene), the number of steps per update (e.g., how many FF minimizations are done before the geometry updates on screen) and the performance of the machine. > Or are there any other hooks in the code to affect this > behavior? If the optimization method was sped up, this should make > larger molecules appear like they have less drag, correct? Generally, yes. > With the wiimote, there might be some sort of interference between the > various steps of the AutoOpt algorithm. What would be the best > approach for studying this problem? As I wrote to you off-list, this sounds like a race condition between the thread for the AutoOpt force field and the Wiimote in the main thread (and rendering). I'd start by seeing if different "number of steps per update" in the AutoOpt give better interactivity. I'd probably try more steps per update -- the optimization will look a bit jerkier, but the interactivity will probably improve, since the geometry isn't constantly changing. I'd also try decreasing the level of detail for rendering in case your OpenGL is using some software-based rendering. Hope that helps, -Geoff ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
