Performance Optimization Model of Molecular Dynamics Simulation Based on Machine Learning and Data Mining Algorithm

Table 3

Results of the motion trajectory equation to calculate the runtime.

Number of particles	A	B
256	4.73	3.61
512	8.652	6.032
1024	12.373	9.986
2048	19.562	16.37
4096	32.471	29.834
8192	43.584	40.087