Sentence examples for simulations were extracted from inspiring English sources

Starting structures of the corresponding umbrella sampling simulations were extracted from the corresponding steered MD trajectories at an interval of 0.1 Å between adjacent windows for both the O5 C6 and C5 C8 reaction coordinates in the 1D PMF calculations.

More specifically, the dielectric function of gold used in the simulations is extracted by interpolation of Johnson and Christy's results [24], and the nanoparticles are placed in a homogeneous medium resembling water, whose RI can be changed from 1.33 to 1.37 for comparison.

The parameter values of simulation were extracted from the experimental data of the reference DUV LEDs.

Settings for the simulation were extracted from the target scenario we previously described.

The island profiles used in this simulation were extracted from the AFM measurements in uncapped islands (Figure 6) that resulted in the dimensions from Table 1.

For both T and O protomers, snapshots after 90 ns of simulation were extracted and used to initiate the FEP calculations.

To examine the free energy of the covalent-orlistat ligand in each hexyl tail conformation, a total of 50 snapshots over the course of each conformation in each simulation were extracted from the simulation trajectories of FASN TE.

The rock and fluid properties used in this simulation model are extracted from Eclipse data files and presented in Tables 2 and 3.

To achieve this investigation, structural displacements of a fully-coupled simulation are extracted and used as imposed motion for a straight forward flow simulation.

A configuration consistent with the equilibrated average volume from this simulation was extracted and further equilibrated at constant NVT for 2 ns.

The optical and electrical parameters for gallium arsenide and silicon simulation models were extracted from experimental devices and material vendors.