John Stone, Justin Gullingsrud, Paul Grayson, and Klaus Schulten.
A system for interactive molecular dynamics simulation.
In John F. Hughes and Carlo H. Séquin, editors, 2001 ACM
Symposium on Interactive 3D Graphics, pages 191-194, New York, 2001. ACM
SIGGRAPH.
STON2001We have implemented a system termed Interactive Molecular
Dynamics (IMD), which permits manipulation of molecules
in molecular dynamics simulations with real-time force feedback
and graphical display. Communication is achieved through an
efficient socket connection between the visualization program
(VMD) and a molecular dynamics program (NAMD) running on
single or multiple machines. A natural force feedback interface for
molecular steering is provided by a haptic device. We model the
effect of simulation speed on the haptic feedback, and discuss
results of an IMD study of a 4,000 atom system, the gramicidin A
channel.
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