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Nevertheless, the concept of software-hardware co-simulation suggests a new hybrid approach: the transceivers can be implemented in software, giving researchers absolute configuration control and flexibility, whereas the channel emulation can be run on hardware, thus accelerating channel emulation and the overall simulation process.
As protein folding is serial in nature and many work units are generated from their predecessors, this allows the overall simulation process to proceed normally if a work unit is not returned after a reasonable period of time.
The overall simulation process is summarized in Fig. 1.
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The g_rms program was used to compare structures by calculating the root mean square deviation (RMSD) [ 50] to observe the changes of the overall structure in the dynamic simulation process compared to a reference structure.
As was expected, BF HE/HO i showed an overall increase when π values used in the simulation process decreased (Table 1).
Overall, simulation is a complementary tool to understand carbohydrate-active enzymes and plant cell walls, which will enable industrial processes for the production of advanced, renewable fuels.
Open image in new window Fig. 1 Overall simulation workflow.
The overall simulation framework is presented in Fig. 1.
For the NPT simulation at 600 K, the overall simulation time was extended to 2 ns.
The stimulus was maintained throughout the overall simulation.
Our overall simulation set-up is shown in Figure 4.
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