CompuCell3d manual and Tutorial Version 2



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III.B. Dynamics


A GGH simulation consists of many attempts to copy cell indices between neighboring pixels. In CompuCell3D the default dynamical algorithm is modified Metropolis dynamics. During each index-copy attempt, we select a target pixel, , randomly from the cell lattice, and then randomly select one of its neighboring pixels, , as a source pixel. If they belong to the same generalized cell (i.e., if ) we do not need copy index. Otherwise the cell containing the source pixel attempts to occupy the target pixel. Consequently, a successful index copy increases the volume of the source cell and decreases the volume of the target cell by one pixel.



Figure 2. GGH representation of an index-copy attempt for two cells on a 2D square lattice – The “white” pixel (source) attempts to replace the “grey” pixel (target). The probability of accepting the index copy is given by equation .

In the modified Metropolis algorithm we evaluate the change in the total effective energy due to the attempted index copy and accept the index-copy attempt with probability:



, 

where is a parameter representing the effective cell motility (we can think of as the amplitude of cell-membrane fluctuations). Equation  is the Boltzmann acceptance function. Users can define other acceptance functions in CompuCell3D. The conversion between MCS and experimental time depends on the average values of. MCS and experimental time are proportional in biologically-meaningful situations (87-90).


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